methyl N-[3-chloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-2-fluorophenyl]-N-ethylcarbamate

C17H16ClFN2O4 — CID 22621016

IUPACmethyl N-[3-chloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-2-fluorophenyl]-N-ethylcarbamate
SMILESCCN(C(=O)OC)c1c(C(=O)c2cnoc2C2CC2)ccc(Cl)c1F
InChIInChI=1S/C17H16ClFN2O4/c1-3-21(17(23)24-2)14-10(6-7-12(18)13(14)19)15(22)11-8-20-25-16(11)9-4-5-9/h6-9H,3-5H2,1-2H3
InChIKeyQCXNTPZJRSNINT-UHFFFAOYSA-N
MW366.78 g/mol
LogP4.17
Rot. Bonds5

About methyl N-[3-chloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-2-fluorophenyl]-N-ethylcarbamate

methyl N-[3-chloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-2-fluorophenyl]-N-ethylcarbamate (PubChem CID 22621016) has the molecular formula C17H16ClFN2O4 and a molecular weight of 366.78 g/mol. Its IUPAC name is methyl N-[3-chloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-2-fluorophenyl]-N-ethylcarbamate.

Molecular Properties

Compound Namemethyl N-[3-chloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-2-fluorophenyl]-N-ethylcarbamate
PubChem CID22621016
Molecular FormulaC17H16ClFN2O4
Molecular Weight366.78 g/mol
Exact Mass366.08
IUPAC Namemethyl N-[3-chloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-2-fluorophenyl]-N-ethylcarbamate
SMILESCCN(C(=O)OC)c1c(C(=O)c2cnoc2C2CC2)ccc(Cl)c1F
InChIInChI=1S/C17H16ClFN2O4/c1-3-21(17(23)24-2)14-10(6-7-12(18)13(14)19)15(22)11-8-20-25-16(11)9-4-5-9/h6-9H,3-5H2,1-2H3
InChIKeyQCXNTPZJRSNINT-UHFFFAOYSA-N
XLogP4.17
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.78
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl N-[3-chloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-2-fluorophenyl]-N-ethylcarbamate?
The IUPAC name of methyl N-[3-chloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-2-fluorophenyl]-N-ethylcarbamate (CID 22621016) is methyl N-[3-chloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-2-fluorophenyl]-N-ethylcarbamate.
What is the SMILES notation for methyl N-[3-chloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-2-fluorophenyl]-N-ethylcarbamate?
The canonical SMILES for methyl N-[3-chloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-2-fluorophenyl]-N-ethylcarbamate is CCN(C(=O)OC)c1c(C(=O)c2cnoc2C2CC2)ccc(Cl)c1F.
What is the InChIKey of methyl N-[3-chloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-2-fluorophenyl]-N-ethylcarbamate?
The InChIKey is QCXNTPZJRSNINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O4/c1-3-21(17(23)24-2)14-10(6-7-12(18)13(14)19)15(22)11-8-20-25-16(11)9-4-5-9/h6-9H,3-5H2,1-2H3.
What are the key properties of methyl N-[3-chloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-2-fluorophenyl]-N-ethylcarbamate?
methyl N-[3-chloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-2-fluorophenyl]-N-ethylcarbamate has a molecular weight of 366.78 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-chloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-2-fluorophenyl]-N-ethylcarbamate is sourced from PubChem (CID 22621016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).