methyl N-[6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-2,3-difluorophenyl]-N-methylcarbamate

C16H14F2N2O4 — CID 22620994

IUPACmethyl N-[6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-2,3-difluorophenyl]-N-methylcarbamate
SMILESCOC(=O)N(C)c1c(C(=O)c2cnoc2C2CC2)ccc(F)c1F
InChIInChI=1S/C16H14F2N2O4/c1-20(16(22)23-2)13-9(5-6-11(17)12(13)18)14(21)10-7-19-24-15(10)8-3-4-8/h5-8H,3-4H2,1-2H3
InChIKeyJWAQXWZKTYMNPG-UHFFFAOYSA-N
MW336.29 g/mol
LogP3.26
Rot. Bonds4

About methyl N-[6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-2,3-difluorophenyl]-N-methylcarbamate

methyl N-[6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-2,3-difluorophenyl]-N-methylcarbamate (PubChem CID 22620994) has the molecular formula C16H14F2N2O4 and a molecular weight of 336.29 g/mol. Its IUPAC name is methyl N-[6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-2,3-difluorophenyl]-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-[6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-2,3-difluorophenyl]-N-methylcarbamate
PubChem CID22620994
Molecular FormulaC16H14F2N2O4
Molecular Weight336.29 g/mol
Exact Mass336.09
IUPAC Namemethyl N-[6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-2,3-difluorophenyl]-N-methylcarbamate
SMILESCOC(=O)N(C)c1c(C(=O)c2cnoc2C2CC2)ccc(F)c1F
InChIInChI=1S/C16H14F2N2O4/c1-20(16(22)23-2)13-9(5-6-11(17)12(13)18)14(21)10-7-19-24-15(10)8-3-4-8/h5-8H,3-4H2,1-2H3
InChIKeyJWAQXWZKTYMNPG-UHFFFAOYSA-N
XLogP3.26
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.29
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl N-[6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-2,3-difluorophenyl]-N-methylcarbamate?
The IUPAC name of methyl N-[6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-2,3-difluorophenyl]-N-methylcarbamate (CID 22620994) is methyl N-[6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-2,3-difluorophenyl]-N-methylcarbamate.
What is the SMILES notation for methyl N-[6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-2,3-difluorophenyl]-N-methylcarbamate?
The canonical SMILES for methyl N-[6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-2,3-difluorophenyl]-N-methylcarbamate is COC(=O)N(C)c1c(C(=O)c2cnoc2C2CC2)ccc(F)c1F.
What is the InChIKey of methyl N-[6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-2,3-difluorophenyl]-N-methylcarbamate?
The InChIKey is JWAQXWZKTYMNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O4/c1-20(16(22)23-2)13-9(5-6-11(17)12(13)18)14(21)10-7-19-24-15(10)8-3-4-8/h5-8H,3-4H2,1-2H3.
What are the key properties of methyl N-[6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-2,3-difluorophenyl]-N-methylcarbamate?
methyl N-[6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-2,3-difluorophenyl]-N-methylcarbamate has a molecular weight of 336.29 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-2,3-difluorophenyl]-N-methylcarbamate is sourced from PubChem (CID 22620994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).