3-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide

C17H16N2O3 — CID 110616374

IUPAC3-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
SMILESCc1ccc(CCC(=O)Nc2ccc3[nH]c(=O)oc3c2)cc1
InChIInChI=1S/C17H16N2O3/c1-11-2-4-12(5-3-11)6-9-16(20)18-13-7-8-14-15(10-13)22-17(21)19-14/h2-5,7-8,10H,6,9H2,1H3,(H,18,20)(H,19,21)
InChIKeyDYFIAVAABWMVQQ-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.00
Rot. Bonds4

About 3-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide

3-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide (PubChem CID 110616374) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
PubChem CID110616374
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name3-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
SMILESCc1ccc(CCC(=O)Nc2ccc3[nH]c(=O)oc3c2)cc1
InChIInChI=1S/C17H16N2O3/c1-11-2-4-12(5-3-11)6-9-16(20)18-13-7-8-14-15(10-13)22-17(21)19-14/h2-5,7-8,10H,6,9H2,1H3,(H,18,20)(H,19,21)
InChIKeyDYFIAVAABWMVQQ-UHFFFAOYSA-N
XLogP3.00
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 110616272
3-(4-methylphenyl)sulfonyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
CID 110616370
3-chloro-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
CID 11543243
methyl 4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]butanoate
CID 110662078
4-(methylamino)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide
CID 110838149
2-hydroxy-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 83820376
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-sulfanylacetamide
CID 115166967
4-(2-methylphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide
CID 110608184
N,3-bis(4-methylphenyl)propanamide
CID 19220434
3-cyclopropyl-3-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
CID 110411113
N-(4-ethylphenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide
CID 110344752
N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-3-(4-methylphenyl)propanamide
CID 110721777

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide?
The IUPAC name of 3-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide (CID 110616374) is 3-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide?
The canonical SMILES for 3-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide is Cc1ccc(CCC(=O)Nc2ccc3[nH]c(=O)oc3c2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide?
The InChIKey is DYFIAVAABWMVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-11-2-4-12(5-3-11)6-9-16(20)18-13-7-8-14-15(10-13)22-17(21)19-14/h2-5,7-8,10H,6,9H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 3-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide?
3-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide has a molecular weight of 296.33 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide is sourced from PubChem (CID 110616374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).