Name: Name:methyl 8a-(morpholin-4-yl)-3aH,4H,5H,6H,7H,8H,8aH-cyclohepta[d][1,2]oxazole-3-carboxylate
Brand: Angene
SKU: AG01AFYC
Rating: 90 (10 reviews)

methyl 8a-(morpholin-4-yl)-3aH,4H,5H,6H,7H,8H,8aH-cyclohepta[d][1,2]oxazole-3-carboxylate

CAS No.:

1803565-83-4

Catalog Number:

AG01AFYC

Molecular Formula:

C14H22N2O4

Molecular Weight:

282.3355

Catalog Number:

AG01AFYC

Chemical Name:

methyl 8a-(morpholin-4-yl)-3aH,4H,5H,6H,7H,8H,8aH-cyclohepta[d][1,2]oxazole-3-carboxylate

CAS Number:

1803565-83-4

Molecular Formula:

C14H22N2O4

Molecular Weight:

282.3355

MDL Number:

MFCD27920278

IUPAC Name:

methyl 8a-morpholin-4-yl-3a,4,5,6,7,8-hexahydrocyclohepta[d][1,2]oxazole-3-carboxylate

InChI:

InChI=1S/C14H22N2O4/c1-18-13(17)12-11-5-3-2-4-6-14(11,20-15-12)16-7-9-19-10-8-16/h11H,2-10H2,1H3

InChI Key:

AJQJAXMURGDFHW-UHFFFAOYSA-N

SMILES:

COC(=O)C1=NOC2(C1CCCCC2)N1CCOCC1

Complexity:

406

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

282.158g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

282.34g/mol

Monoisotopic Mass:

282.158g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

60.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7