2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-propan-2-ylbenzamide

C19H19N3O3 — CID 46480330

IUPAC2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1NC(=O)Cc1noc2ccccc12
InChIInChI=1S/C19H19N3O3/c1-12(2)20-19(24)14-8-3-5-9-15(14)21-18(23)11-16-13-7-4-6-10-17(13)25-22-16/h3-10,12H,11H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyOCVBJCIBVZRRLJ-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.15
Rot. Bonds5

About 2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-propan-2-ylbenzamide

2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-propan-2-ylbenzamide (PubChem CID 46480330) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-propan-2-ylbenzamide
PubChem CID46480330
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1NC(=O)Cc1noc2ccccc12
InChIInChI=1S/C19H19N3O3/c1-12(2)20-19(24)14-8-3-5-9-15(14)21-18(23)11-16-13-7-4-6-10-17(13)25-22-16/h3-10,12H,11H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyOCVBJCIBVZRRLJ-UHFFFAOYSA-N
XLogP3.15
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-propan-2-ylbenzamide 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

2-(1,2-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 15167155
2-(1,2-benzoxazol-3-yl)-N-(2-methoxyphenyl)acetamide
CID 1235350
2-(1,2-benzoxazol-3-yl)-N-(2-propoxyphenyl)acetamide
CID 51217571
2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 40647246
2-(1,2-benzoxazol-3-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 9162813
2-(1,2-benzoxazol-3-yl)-N-(2-chloro-3-pyridinyl)acetamide
CID 1235388
2-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoic acid
CID 108803274
2-(1,2-benzoxazol-3-yl)-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 84948325
methyl 3-oxo-3-[2-(propan-2-ylcarbamoyl)anilino]propanoate
CID 28638001
2-[[2-(2-fluorophenyl)acetyl]amino]-N-propan-2-ylbenzamide
CID 100635454
2-(1,2-benzoxazol-3-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 26157703
4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 9270620

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-propan-2-ylbenzamide (CID 46480330) is 2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccccc1NC(=O)Cc1noc2ccccc12.
What is the InChIKey of 2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is OCVBJCIBVZRRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-12(2)20-19(24)14-8-3-5-9-15(14)21-18(23)11-16-13-7-4-6-10-17(13)25-22-16/h3-10,12H,11H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of 2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-propan-2-ylbenzamide?
2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-propan-2-ylbenzamide has a molecular weight of 337.38 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 46480330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).