N-(1,3-benzoxazol-5-yl)-2-methylbenzamide

C15H12N2O2 — CID 110728649

IUPACN-(1,3-benzoxazol-5-yl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc2ocnc2c1
InChIInChI=1S/C15H12N2O2/c1-10-4-2-3-5-12(10)15(18)17-11-6-7-14-13(8-11)16-9-19-14/h2-9H,1H3,(H,17,18)
InChIKeySTXQNHFRZMQRGE-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.39
Rot. Bonds2

About N-(1,3-benzoxazol-5-yl)-2-methylbenzamide

N-(1,3-benzoxazol-5-yl)-2-methylbenzamide (PubChem CID 110728649) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-(1,3-benzoxazol-5-yl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(1,3-benzoxazol-5-yl)-2-methylbenzamide
PubChem CID110728649
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC NameN-(1,3-benzoxazol-5-yl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc2ocnc2c1
InChIInChI=1S/C15H12N2O2/c1-10-4-2-3-5-12(10)15(18)17-11-6-7-14-13(8-11)16-9-19-14/h2-9H,1H3,(H,17,18)
InChIKeySTXQNHFRZMQRGE-UHFFFAOYSA-N
XLogP3.39
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1,3-benzoxazol-5-yl)-2-methylbenzamide 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

N-[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide
CID 17101713
2-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
CID 699256
N-(1,3-benzoxazol-5-yl)-2-phenylacetamide
CID 110728668
2-methyl-N-[3-methyl-4-[2-methyl-4-[(2-methylbenzoyl)amino]phenyl]phenyl]benzamide
CID 23908248
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide
CID 801337
N-(4-anilinophenyl)-1,3-benzoxazole-5-carboxamide
CID 108795166
N-(1,3-benzoxazol-5-yl)-5-bromopyrazine-2-carboxamide
CID 112525478
1-(1,3-benzoxazol-5-yl)-3-benzylurea
CID 110748624
N-(4-iodo-3,5-dimethylphenyl)-2-methylbenzamide
CID 17274184
N-[4-hydroxy-3-[(2-methylbenzoyl)amino]phenyl]-2-methylbenzamide
CID 154278124
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide
CID 1397326
2-methyl-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 698044

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-5-yl)-2-methylbenzamide?
The IUPAC name of N-(1,3-benzoxazol-5-yl)-2-methylbenzamide (CID 110728649) is N-(1,3-benzoxazol-5-yl)-2-methylbenzamide.
What is the SMILES notation for N-(1,3-benzoxazol-5-yl)-2-methylbenzamide?
The canonical SMILES for N-(1,3-benzoxazol-5-yl)-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccc2ocnc2c1.
What is the InChIKey of N-(1,3-benzoxazol-5-yl)-2-methylbenzamide?
The InChIKey is STXQNHFRZMQRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-10-4-2-3-5-12(10)15(18)17-11-6-7-14-13(8-11)16-9-19-14/h2-9H,1H3,(H,17,18).
What are the key properties of N-(1,3-benzoxazol-5-yl)-2-methylbenzamide?
N-(1,3-benzoxazol-5-yl)-2-methylbenzamide has a molecular weight of 252.27 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-5-yl)-2-methylbenzamide is sourced from PubChem (CID 110728649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).