Name: Name:4-[(3,5-Dimethyl-1h-pyrazol-1-yl)methyl]-5-methylisoxazole-3-carboxylic acid
Brand: Angene
SKU: AG00J0WN
Rating: 90 (10 reviews)

4-[(3,5-Dimethyl-1h-pyrazol-1-yl)methyl]-5-methylisoxazole-3-carboxylic acid

CAS No.:

957514-12-4

Catalog Number:

AG00J0WN

Molecular Formula:

C11H13N3O3

Molecular Weight:

235.2392

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

95%

In Stock USA

United States

$358

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95%

In Stock USA

United States

$1136

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Product Description

Catalog Number:

AG00J0WN

Chemical Name:

4-[(3,5-Dimethyl-1h-pyrazol-1-yl)methyl]-5-methylisoxazole-3-carboxylic acid

CAS Number:

957514-12-4

Molecular Formula:

C11H13N3O3

Molecular Weight:

235.2392

MDL Number:

MFCD06804308

IUPAC Name:

4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid

InChI:

InChI=1S/C11H13N3O3/c1-6-4-7(2)14(12-6)5-9-8(3)17-13-10(9)11(15)16/h4H,5H2,1-3H3,(H,15,16)

InChI Key:

PUKLVRTZTBLAMZ-UHFFFAOYSA-N

SMILES:

Cc1cc(n(n1)Cc1c(C)onc1C(=O)O)C

Properties

Complexity:

300

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

235.096g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

235.243g/mol

Monoisotopic Mass:

235.096g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

81.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101

Properties