N-benzyl-2-methyl-1,3-benzoxazole-7-carboxamide

C16H14N2O2 — CID 714012

IUPACN-benzyl-2-methyl-1,3-benzoxazole-7-carboxamide
SMILESCc1nc2cccc(C(=O)NCc3ccccc3)c2o1
InChIInChI=1S/C16H14N2O2/c1-11-18-14-9-5-8-13(15(14)20-11)16(19)17-10-12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,17,19)
InChIKeyFYOHQZFLCBCAHZ-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.07
Rot. Bonds3

About N-benzyl-2-methyl-1,3-benzoxazole-7-carboxamide

N-benzyl-2-methyl-1,3-benzoxazole-7-carboxamide (PubChem CID 714012) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-benzyl-2-methyl-1,3-benzoxazole-7-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-methyl-1,3-benzoxazole-7-carboxamide
PubChem CID714012
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC NameN-benzyl-2-methyl-1,3-benzoxazole-7-carboxamide
SMILESCc1nc2cccc(C(=O)NCc3ccccc3)c2o1
InChIInChI=1S/C16H14N2O2/c1-11-18-14-9-5-8-13(15(14)20-11)16(19)17-10-12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,17,19)
InChIKeyFYOHQZFLCBCAHZ-UHFFFAOYSA-N
XLogP3.07
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-2-methyl-1,3-benzoxazole-7-carboxamide 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-(2-methyl-1,3-benzoxazol-7-yl)-2-oxoacetic acid
CID 117293084
2-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]benzamide
CID 110785096
1-N,2-N,3-N-tribenzylbenzene-1,2,3-tricarboxamide
CID 70015173
ethyl 2-(2-methyl-1,3-benzoxazol-7-yl)-2-oxoacetate
CID 117337566
N-benzyl-2,4-dimethylpyrimidine-5-carboxamide
CID 53007173
N-benzyl-4-methylquinoline-2-carboxamide
CID 164678694
N-benzylfuro[3,2-b]quinoxaline-3-carboxamide
CID 5242983
2-amino-N-benzyl-4-methylpyrimidine-5-carboxamide
CID 1487920
2-N-benzyl-6-N-[(2-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097211
2-amino-N-benzylquinoline-3-carboxamide
CID 14177193
2-(2-methylphenyl)-N-[[3-[[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
CID 5107909
N-benzyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 100779345

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-1,3-benzoxazole-7-carboxamide?
The IUPAC name of N-benzyl-2-methyl-1,3-benzoxazole-7-carboxamide (CID 714012) is N-benzyl-2-methyl-1,3-benzoxazole-7-carboxamide.
What is the SMILES notation for N-benzyl-2-methyl-1,3-benzoxazole-7-carboxamide?
The canonical SMILES for N-benzyl-2-methyl-1,3-benzoxazole-7-carboxamide is Cc1nc2cccc(C(=O)NCc3ccccc3)c2o1.
What is the InChIKey of N-benzyl-2-methyl-1,3-benzoxazole-7-carboxamide?
The InChIKey is FYOHQZFLCBCAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-11-18-14-9-5-8-13(15(14)20-11)16(19)17-10-12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,17,19).
What are the key properties of N-benzyl-2-methyl-1,3-benzoxazole-7-carboxamide?
N-benzyl-2-methyl-1,3-benzoxazole-7-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-1,3-benzoxazole-7-carboxamide is sourced from PubChem (CID 714012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).