(2-methyl-1,3-benzoxazol-5-yl) N-(4-chlorophenyl)carbamate

C15H11ClN2O3 — CID 110494897

IUPAC(2-methyl-1,3-benzoxazol-5-yl) N-(4-chlorophenyl)carbamate
SMILESCc1nc2cc(OC(=O)Nc3ccc(Cl)cc3)ccc2o1
InChIInChI=1S/C15H11ClN2O3/c1-9-17-13-8-12(6-7-14(13)20-9)21-15(19)18-11-4-2-10(16)3-5-11/h2-8H,1H3,(H,18,19)
InChIKeyVTUXKRZMZWAEDV-UHFFFAOYSA-N
MW302.72 g/mol
LogP4.40
Rot. Bonds2

About (2-methyl-1,3-benzoxazol-5-yl) N-(4-chlorophenyl)carbamate

(2-methyl-1,3-benzoxazol-5-yl) N-(4-chlorophenyl)carbamate (PubChem CID 110494897) has the molecular formula C15H11ClN2O3 and a molecular weight of 302.72 g/mol. Its IUPAC name is (2-methyl-1,3-benzoxazol-5-yl) N-(4-chlorophenyl)carbamate.

Molecular Properties

Compound Name(2-methyl-1,3-benzoxazol-5-yl) N-(4-chlorophenyl)carbamate
PubChem CID110494897
Molecular FormulaC15H11ClN2O3
Molecular Weight302.72 g/mol
Exact Mass302.05
IUPAC Name(2-methyl-1,3-benzoxazol-5-yl) N-(4-chlorophenyl)carbamate
SMILESCc1nc2cc(OC(=O)Nc3ccc(Cl)cc3)ccc2o1
InChIInChI=1S/C15H11ClN2O3/c1-9-17-13-8-12(6-7-14(13)20-9)21-15(19)18-11-4-2-10(16)3-5-11/h2-8H,1H3,(H,18,19)
InChIKeyVTUXKRZMZWAEDV-UHFFFAOYSA-N
XLogP4.40
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-methyl-1,3-benzoxazol-5-yl) N-(4-chlorophenyl)carbamate 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

tert-butyl N-(2-methyl-1,3-benzoxazol-5-yl)carbamate
CID 65142575
1-(4-chlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide
CID 37040333
5-chloro-2-methyl-1,3-benzoxazole
CID 29510
4-chloro-2-fluoro-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 25474421
(2R)-N-(4-methoxyphenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
CID 25349306
[4-[(4-chlorophenyl)carbamoylamino]phenyl] N-(4-chlorophenyl)carbamate
CID 1381182
(2-methyl-1,3-benzoxazol-5-yl) furan-2-carboxylate
CID 110494861
5-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80625344
2-bromo-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 107903105
4-chloro-N-[4-[(2-methyl-1,3-benzoxazol-5-yl)amino]-4-oxobutyl]benzamide
CID 37040476
6-chloro-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)quinoline-3-carboxamide
CID 37040651
3-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61276265

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-benzoxazol-5-yl) N-(4-chlorophenyl)carbamate?
The IUPAC name of (2-methyl-1,3-benzoxazol-5-yl) N-(4-chlorophenyl)carbamate (CID 110494897) is (2-methyl-1,3-benzoxazol-5-yl) N-(4-chlorophenyl)carbamate.
What is the SMILES notation for (2-methyl-1,3-benzoxazol-5-yl) N-(4-chlorophenyl)carbamate?
The canonical SMILES for (2-methyl-1,3-benzoxazol-5-yl) N-(4-chlorophenyl)carbamate is Cc1nc2cc(OC(=O)Nc3ccc(Cl)cc3)ccc2o1.
What is the InChIKey of (2-methyl-1,3-benzoxazol-5-yl) N-(4-chlorophenyl)carbamate?
The InChIKey is VTUXKRZMZWAEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O3/c1-9-17-13-8-12(6-7-14(13)20-9)21-15(19)18-11-4-2-10(16)3-5-11/h2-8H,1H3,(H,18,19).
What are the key properties of (2-methyl-1,3-benzoxazol-5-yl) N-(4-chlorophenyl)carbamate?
(2-methyl-1,3-benzoxazol-5-yl) N-(4-chlorophenyl)carbamate has a molecular weight of 302.72 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-benzoxazol-5-yl) N-(4-chlorophenyl)carbamate is sourced from PubChem (CID 110494897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).