N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]formamide

C15H12N2O2 — CID 168653350

IUPACN-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]formamide
SMILESCc1ccc(-c2nc3cc(NC=O)ccc3o2)cc1
InChIInChI=1S/C15H12N2O2/c1-10-2-4-11(5-3-10)15-17-13-8-12(16-9-18)6-7-14(13)19-15/h2-9H,1H3,(H,16,18)
InChIKeyABFUQOFRAMYMPL-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.37
Rot. Bonds3

About N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]formamide

N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]formamide (PubChem CID 168653350) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]formamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]formamide
PubChem CID168653350
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC NameN-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]formamide
SMILESCc1ccc(-c2nc3cc(NC=O)ccc3o2)cc1
InChIInChI=1S/C15H12N2O2/c1-10-2-4-11(5-3-10)15-17-13-8-12(16-9-18)6-7-14(13)19-15/h2-9H,1H3,(H,16,18)
InChIKeyABFUQOFRAMYMPL-UHFFFAOYSA-N
XLogP3.37
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]formamide 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-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]formamide
CID 168653056
5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 11588133
N-[2-(3-methylphenyl)-1,3-benzoxazol-6-yl]formamide
CID 168654349
2-cyano-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 168522173
N-methyl-4-[(E)-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]aniline
CID 25211761
2-[4-[3,5-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-5-methyl-1,3-benzoxazole
CID 22960109
N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]formamide
CID 168652707
2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,3-benzoxazol-5-amine
CID 882263
3-methyl-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 2833240
1-chloro-3-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]amino]propan-2-ol
CID 168638675
2-(4-iodophenyl)-N-methyl-1,3-benzoxazol-5-amine
CID 91682504
tert-butyl N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamate
CID 166446222

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]formamide?
The IUPAC name of N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]formamide (CID 168653350) is N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]formamide.
What is the SMILES notation for N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]formamide?
The canonical SMILES for N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]formamide is Cc1ccc(-c2nc3cc(NC=O)ccc3o2)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]formamide?
The InChIKey is ABFUQOFRAMYMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-10-2-4-11(5-3-10)15-17-13-8-12(16-9-18)6-7-14(13)19-15/h2-9H,1H3,(H,16,18).
What are the key properties of N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]formamide?
N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]formamide has a molecular weight of 252.27 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]formamide is sourced from PubChem (CID 168653350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).