3-acetamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide

C12H13N3O4 — CID 47160045

IUPAC3-acetamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
SMILESCC(=O)NCCC(=O)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C12H13N3O4/c1-7(16)13-5-4-11(17)14-8-2-3-10-9(6-8)15-12(18)19-10/h2-3,6H,4-5H2,1H3,(H,13,16)(H,14,17)(H,15,18)
InChIKeyHQJOFXIPBJOHRF-UHFFFAOYSA-N
MW263.25 g/mol
LogP0.59
Rot. Bonds4

About 3-acetamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide

3-acetamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide (PubChem CID 47160045) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is 3-acetamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide.

Molecular Properties

Compound Name3-acetamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
PubChem CID47160045
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name3-acetamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
SMILESCC(=O)NCCC(=O)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C12H13N3O4/c1-7(16)13-5-4-11(17)14-8-2-3-10-9(6-8)15-12(18)19-10/h2-3,6H,4-5H2,1H3,(H,13,16)(H,14,17)(H,15,18)
InChIKeyHQJOFXIPBJOHRF-UHFFFAOYSA-N
XLogP0.59
TPSA104.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 12925401
methyl 4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoate
CID 47157162
N-[3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propyl]thiophene-2-carboxamide
CID 134019751
4-(4-tert-butylphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 110410924
7-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)heptanamide;hydrochloride
CID 119709871
4-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 110616272
3-(2,5-dimethylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 134019686
2,2-dimethyl-4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 65302361
3,5-dimethyl-N-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]benzamide
CID 38467305
3-acetamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-phenylpropanamide
CID 134019701
4-(3-methoxyphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 110607947
2-(2-methoxyethylamino)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide;hydrochloride
CID 119709902

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide?
The IUPAC name of 3-acetamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide (CID 47160045) is 3-acetamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide.
What is the SMILES notation for 3-acetamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide?
The canonical SMILES for 3-acetamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide is CC(=O)NCCC(=O)Nc1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of 3-acetamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide?
The InChIKey is HQJOFXIPBJOHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c1-7(16)13-5-4-11(17)14-8-2-3-10-9(6-8)15-12(18)19-10/h2-3,6H,4-5H2,1H3,(H,13,16)(H,14,17)(H,15,18).
What are the key properties of 3-acetamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide?
3-acetamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide has a molecular weight of 263.25 g/mol, XLogP of 0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide is sourced from PubChem (CID 47160045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).