methyl N-[2-chloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-ethylcarbamate

C17H17ClN2O4 — CID 22620953

IUPACmethyl N-[2-chloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-ethylcarbamate
SMILESCCN(C(=O)OC)c1c(Cl)cccc1C(=O)c1cnoc1C1CC1
InChIInChI=1S/C17H17ClN2O4/c1-3-20(17(22)23-2)14-11(5-4-6-13(14)18)15(21)12-9-19-24-16(12)10-7-8-10/h4-6,9-10H,3,7-8H2,1-2H3
InChIKeySIZINCKCBHRIDC-UHFFFAOYSA-N
MW348.79 g/mol
LogP4.03
Rot. Bonds5

About methyl N-[2-chloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-ethylcarbamate

methyl N-[2-chloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-ethylcarbamate (PubChem CID 22620953) has the molecular formula C17H17ClN2O4 and a molecular weight of 348.79 g/mol. Its IUPAC name is methyl N-[2-chloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-ethylcarbamate.

Molecular Properties

Compound Namemethyl N-[2-chloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-ethylcarbamate
PubChem CID22620953
Molecular FormulaC17H17ClN2O4
Molecular Weight348.79 g/mol
Exact Mass348.09
IUPAC Namemethyl N-[2-chloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-ethylcarbamate
SMILESCCN(C(=O)OC)c1c(Cl)cccc1C(=O)c1cnoc1C1CC1
InChIInChI=1S/C17H17ClN2O4/c1-3-20(17(22)23-2)14-11(5-4-6-13(14)18)15(21)12-9-19-24-16(12)10-7-8-10/h4-6,9-10H,3,7-8H2,1-2H3
InChIKeySIZINCKCBHRIDC-UHFFFAOYSA-N
XLogP4.03
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl N-[2-chloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-ethylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-chloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-ethylcarbamate?
The IUPAC name of methyl N-[2-chloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-ethylcarbamate (CID 22620953) is methyl N-[2-chloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-ethylcarbamate.
What is the SMILES notation for methyl N-[2-chloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-ethylcarbamate?
The canonical SMILES for methyl N-[2-chloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-ethylcarbamate is CCN(C(=O)OC)c1c(Cl)cccc1C(=O)c1cnoc1C1CC1.
What is the InChIKey of methyl N-[2-chloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-ethylcarbamate?
The InChIKey is SIZINCKCBHRIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4/c1-3-20(17(22)23-2)14-11(5-4-6-13(14)18)15(21)12-9-19-24-16(12)10-7-8-10/h4-6,9-10H,3,7-8H2,1-2H3.
What are the key properties of methyl N-[2-chloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-ethylcarbamate?
methyl N-[2-chloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-ethylcarbamate has a molecular weight of 348.79 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-chloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-ethylcarbamate is sourced from PubChem (CID 22620953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).