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

C18H17N3O4 — CID 134019701

IUPAC3-acetamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-phenylpropanamide
SMILESCC(=O)NC(CC(=O)Nc1ccc2oc(=O)[nH]c2c1)c1ccccc1
InChIInChI=1S/C18H17N3O4/c1-11(22)19-14(12-5-3-2-4-6-12)10-17(23)20-13-7-8-16-15(9-13)21-18(24)25-16/h2-9,14H,10H2,1H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyWPJTVUVKZKVQFY-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.33
Rot. Bonds5

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

3-acetamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-phenylpropanamide (PubChem CID 134019701) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 3-acetamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-phenylpropanamide
PubChem CID134019701
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name3-acetamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-phenylpropanamide
SMILESCC(=O)NC(CC(=O)Nc1ccc2oc(=O)[nH]c2c1)c1ccccc1
InChIInChI=1S/C18H17N3O4/c1-11(22)19-14(12-5-3-2-4-6-12)10-17(23)20-13-7-8-16-15(9-13)21-18(24)25-16/h2-9,14H,10H2,1H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyWPJTVUVKZKVQFY-UHFFFAOYSA-N
XLogP2.33
TPSA104.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 115180967
(3R)-3-acetamido-N-(3,4-dimethylphenyl)-3-phenylpropanamide
CID 8743897
3-acetamido-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 24638755
4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 12925401
(2S)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-phenylacetamide
CID 104897322
(3R)-3-acetamido-N-(4-methylphenyl)-3-phenylpropanamide
CID 2664823
3-acetamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 47160045
(3R)-3-acetamido-N-(3-chloro-4-methylphenyl)-3-phenylpropanamide
CID 2665891
(3S)-3-acetamido-N-(3-methylphenyl)-3-phenylpropanamide
CID 8713924
3-acetamido-N-(3-bromophenyl)-3-phenylpropanamide
CID 22107830
methyl 4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoate
CID 47157162
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 134019747

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-phenylpropanamide?
The IUPAC name of 3-acetamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-phenylpropanamide (CID 134019701) is 3-acetamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-phenylpropanamide.
What is the SMILES notation for 3-acetamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-phenylpropanamide?
The canonical SMILES for 3-acetamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-phenylpropanamide is CC(=O)NC(CC(=O)Nc1ccc2oc(=O)[nH]c2c1)c1ccccc1.
What is the InChIKey of 3-acetamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-phenylpropanamide?
The InChIKey is WPJTVUVKZKVQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-11(22)19-14(12-5-3-2-4-6-12)10-17(23)20-13-7-8-16-15(9-13)21-18(24)25-16/h2-9,14H,10H2,1H3,(H,19,22)(H,20,23)(H,21,24).
What are the key properties of 3-acetamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-phenylpropanamide?
3-acetamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-phenylpropanamide has a molecular weight of 339.35 g/mol, XLogP of 2.33, 5 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)-3-phenylpropanamide is sourced from PubChem (CID 134019701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).