1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl N-(2-chloro-3-methylphenyl)carbamate

C15H19ClN2O3 — CID 13144018

IUPAC1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl N-(2-chloro-3-methylphenyl)carbamate
SMILESCc1cccc(NC(=O)OC(C)C2=NC(C)(C)CO2)c1Cl
InChIInChI=1S/C15H19ClN2O3/c1-9-6-5-7-11(12(9)16)17-14(19)21-10(2)13-18-15(3,4)8-20-13/h5-7,10H,8H2,1-4H3,(H,17,19)
InChIKeyIHPROPODPFWRFS-UHFFFAOYSA-N
MW310.78 g/mol
LogP3.79
Rot. Bonds3

About 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl N-(2-chloro-3-methylphenyl)carbamate

1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl N-(2-chloro-3-methylphenyl)carbamate (PubChem CID 13144018) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl N-(2-chloro-3-methylphenyl)carbamate.

Molecular Properties

Compound Name1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl N-(2-chloro-3-methylphenyl)carbamate
PubChem CID13144018
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl N-(2-chloro-3-methylphenyl)carbamate
SMILESCc1cccc(NC(=O)OC(C)C2=NC(C)(C)CO2)c1Cl
InChIInChI=1S/C15H19ClN2O3/c1-9-6-5-7-11(12(9)16)17-14(19)21-10(2)13-18-15(3,4)8-20-13/h5-7,10H,8H2,1-4H3,(H,17,19)
InChIKeyIHPROPODPFWRFS-UHFFFAOYSA-N
XLogP3.79
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl N-(2-chloro-3-methylphenyl)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

1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl N-(3,4-dichlorophenyl)carbamate
CID 13124995
1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl N-(3-fluorophenyl)carbamate
CID 13125007
N-(2-chloro-3-methylphenyl)propanamide
CID 130161458
1-phenylethyl N-(2-chlorophenyl)carbamate
CID 174361176
2-chloro-N-(2-chloro-3-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 114251501
1-(2-chloro-3-methylphenyl)-3-[(3-hydroxythiolan-3-yl)methyl]urea
CID 111618293
N-(2-chloro-3-methylphenyl)-N'-cyclopropyl-N'-(2-hydroxyethyl)oxamide
CID 167937524
N-(2-chloro-3-methylphenyl)-3-hydroxypyridine-4-carboxamide
CID 114251337
1-(2-chloro-3-methylphenyl)-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea
CID 71968263
2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenyl-N,N-di(propan-2-yl)acetamide
CID 101350270
4-amino-N-(2-chloro-3-methylphenyl)oxolane-3-carboxamide
CID 114252127
tert-butyl N-(3-amino-2-chlorophenyl)carbamate
CID 130506591

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl N-(2-chloro-3-methylphenyl)carbamate?
The IUPAC name of 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl N-(2-chloro-3-methylphenyl)carbamate (CID 13144018) is 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl N-(2-chloro-3-methylphenyl)carbamate.
What is the SMILES notation for 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl N-(2-chloro-3-methylphenyl)carbamate?
The canonical SMILES for 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl N-(2-chloro-3-methylphenyl)carbamate is Cc1cccc(NC(=O)OC(C)C2=NC(C)(C)CO2)c1Cl.
What is the InChIKey of 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl N-(2-chloro-3-methylphenyl)carbamate?
The InChIKey is IHPROPODPFWRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-9-6-5-7-11(12(9)16)17-14(19)21-10(2)13-18-15(3,4)8-20-13/h5-7,10H,8H2,1-4H3,(H,17,19).
What are the key properties of 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl N-(2-chloro-3-methylphenyl)carbamate?
1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl N-(2-chloro-3-methylphenyl)carbamate has a molecular weight of 310.78 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl N-(2-chloro-3-methylphenyl)carbamate is sourced from PubChem (CID 13144018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).