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

C18H19FN2O6S — CID 23303136

IUPACmethyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-6-(fluoromethylsulfonyl)phenyl]-N-ethylcarbamate
SMILESCCN(C(=O)OC)c1c(C(=O)c2cnoc2C2CC2)cccc1S(=O)(=O)CF
InChIInChI=1S/C18H19FN2O6S/c1-3-21(18(23)26-2)15-12(5-4-6-14(15)28(24,25)10-19)16(22)13-9-20-27-17(13)11-7-8-11/h4-6,9,11H,3,7-8,10H2,1-2H3
InChIKeyDIJOZXYLZFCWJS-UHFFFAOYSA-N
MW410.42 g/mol
LogP3.08
Rot. Bonds7

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

methyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-6-(fluoromethylsulfonyl)phenyl]-N-ethylcarbamate (PubChem CID 23303136) has the molecular formula C18H19FN2O6S and a molecular weight of 410.42 g/mol. Its IUPAC name is methyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-6-(fluoromethylsulfonyl)phenyl]-N-ethylcarbamate.

Molecular Properties

Compound Namemethyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-6-(fluoromethylsulfonyl)phenyl]-N-ethylcarbamate
PubChem CID23303136
Molecular FormulaC18H19FN2O6S
Molecular Weight410.42 g/mol
Exact Mass410.09
IUPAC Namemethyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-6-(fluoromethylsulfonyl)phenyl]-N-ethylcarbamate
SMILESCCN(C(=O)OC)c1c(C(=O)c2cnoc2C2CC2)cccc1S(=O)(=O)CF
InChIInChI=1S/C18H19FN2O6S/c1-3-21(18(23)26-2)15-12(5-4-6-14(15)28(24,25)10-19)16(22)13-9-20-27-17(13)11-7-8-11/h4-6,9,11H,3,7-8,10H2,1-2H3
InChIKeyDIJOZXYLZFCWJS-UHFFFAOYSA-N
XLogP3.08
TPSA106.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

methyl N-[6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-2-fluoro-3-methylsulfonylphenyl]-N-ethylcarbamate
CID 22621186
methyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-ethylcarbamate
CID 22620958
methyl N-[2,3-dibromo-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-ethylcarbamate
CID 22621129
methyl N-[2,3-dichloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-propylcarbamate
CID 22621148
butyl N-[2,3-dichloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-ethylcarbamate
CID 23303124
(4-chloro-2-ethylsulfonylphenyl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
CID 54042832
N-[2,3-dibromo-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-ethylmethanesulfonamide
CID 22621050
N-[5-chloro-2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-ethylmethanesulfonamide
CID 22621084
(5-cyclopropyl-1,2-oxazol-4-yl)-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]methanone
CID 18996942
(5-cyclopropyl-1,2-oxazol-4-yl)-(5-methoxy-2-pyridinyl)methanone
CID 18996909
(5-cyclopropyl-1,2-oxazol-4-yl)-(2-fluoro-4-methylsulfonylphenyl)methanone
CID 54030727
(5-chloro-2-methylsulfonylphenyl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
CID 54196821

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-6-(fluoromethylsulfonyl)phenyl]-N-ethylcarbamate?
The IUPAC name of methyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-6-(fluoromethylsulfonyl)phenyl]-N-ethylcarbamate (CID 23303136) is methyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-6-(fluoromethylsulfonyl)phenyl]-N-ethylcarbamate.
What is the SMILES notation for methyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-6-(fluoromethylsulfonyl)phenyl]-N-ethylcarbamate?
The canonical SMILES for methyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-6-(fluoromethylsulfonyl)phenyl]-N-ethylcarbamate is CCN(C(=O)OC)c1c(C(=O)c2cnoc2C2CC2)cccc1S(=O)(=O)CF.
What is the InChIKey of methyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-6-(fluoromethylsulfonyl)phenyl]-N-ethylcarbamate?
The InChIKey is DIJOZXYLZFCWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O6S/c1-3-21(18(23)26-2)15-12(5-4-6-14(15)28(24,25)10-19)16(22)13-9-20-27-17(13)11-7-8-11/h4-6,9,11H,3,7-8,10H2,1-2H3.
What are the key properties of methyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-6-(fluoromethylsulfonyl)phenyl]-N-ethylcarbamate?
methyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-6-(fluoromethylsulfonyl)phenyl]-N-ethylcarbamate has a molecular weight of 410.42 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-6-(fluoromethylsulfonyl)phenyl]-N-ethylcarbamate is sourced from PubChem (CID 23303136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).