3-(3-fluorophenyl)-N-[3-(methylsulfonylmethyl)cyclobutyl]-1,2-oxazole-5-carboxamide

C16H17FN2O4S — CID 167981021

IUPAC3-(3-fluorophenyl)-N-[3-(methylsulfonylmethyl)cyclobutyl]-1,2-oxazole-5-carboxamide
SMILESCS(=O)(=O)CC1CC(NC(=O)c2cc(-c3cccc(F)c3)no2)C1
InChIInChI=1S/C16H17FN2O4S/c1-24(21,22)9-10-5-13(6-10)18-16(20)15-8-14(19-23-15)11-3-2-4-12(17)7-11/h2-4,7-8,10,13H,5-6,9H2,1H3,(H,18,20)
InChIKeyMZQPMGIJSWERPB-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.03
Rot. Bonds5

About 3-(3-fluorophenyl)-N-[3-(methylsulfonylmethyl)cyclobutyl]-1,2-oxazole-5-carboxamide

3-(3-fluorophenyl)-N-[3-(methylsulfonylmethyl)cyclobutyl]-1,2-oxazole-5-carboxamide (PubChem CID 167981021) has the molecular formula C16H17FN2O4S and a molecular weight of 352.39 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[3-(methylsulfonylmethyl)cyclobutyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[3-(methylsulfonylmethyl)cyclobutyl]-1,2-oxazole-5-carboxamide
PubChem CID167981021
Molecular FormulaC16H17FN2O4S
Molecular Weight352.39 g/mol
Exact Mass352.09
IUPAC Name3-(3-fluorophenyl)-N-[3-(methylsulfonylmethyl)cyclobutyl]-1,2-oxazole-5-carboxamide
SMILESCS(=O)(=O)CC1CC(NC(=O)c2cc(-c3cccc(F)c3)no2)C1
InChIInChI=1S/C16H17FN2O4S/c1-24(21,22)9-10-5-13(6-10)18-16(20)15-8-14(19-23-15)11-3-2-4-12(17)7-11/h2-4,7-8,10,13H,5-6,9H2,1H3,(H,18,20)
InChIKeyMZQPMGIJSWERPB-UHFFFAOYSA-N
XLogP2.03
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 46472289
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 110164148
N-[3-[(4-fluorophenoxy)methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide;methane
CID 159422237
N-(3-tert-butylcyclobutyl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 121439934
N-(2,4-dimethylphenyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 46471110
N-[3-(azidomethyl)cyclobutyl]-3-[3-(3-hydroxyprop-1-ynyl)phenyl]-1,2-oxazole-5-carboxamide
CID 154933062
N-[2,6-di(propan-2-yl)phenyl]-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 43068883
N-[3-[[3-(1-hydroxyethyl)pyrazol-1-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 126541739
N-[3-[[4-[(1R)-1-hydroxyethyl]-1,2-dihydrotriazol-3-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 126541266
N-[3-[[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]methyl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 121448095
N-(2-tert-butylphenyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 43068926
N-(3-fluorophenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 46427554

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-[3-(methylsulfonylmethyl)cyclobutyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(3-fluorophenyl)-N-[3-(methylsulfonylmethyl)cyclobutyl]-1,2-oxazole-5-carboxamide (CID 167981021) is 3-(3-fluorophenyl)-N-[3-(methylsulfonylmethyl)cyclobutyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[3-(methylsulfonylmethyl)cyclobutyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-[3-(methylsulfonylmethyl)cyclobutyl]-1,2-oxazole-5-carboxamide is CS(=O)(=O)CC1CC(NC(=O)c2cc(-c3cccc(F)c3)no2)C1.
What is the InChIKey of 3-(3-fluorophenyl)-N-[3-(methylsulfonylmethyl)cyclobutyl]-1,2-oxazole-5-carboxamide?
The InChIKey is MZQPMGIJSWERPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4S/c1-24(21,22)9-10-5-13(6-10)18-16(20)15-8-14(19-23-15)11-3-2-4-12(17)7-11/h2-4,7-8,10,13H,5-6,9H2,1H3,(H,18,20).
What are the key properties of 3-(3-fluorophenyl)-N-[3-(methylsulfonylmethyl)cyclobutyl]-1,2-oxazole-5-carboxamide?
3-(3-fluorophenyl)-N-[3-(methylsulfonylmethyl)cyclobutyl]-1,2-oxazole-5-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-[3-(methylsulfonylmethyl)cyclobutyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 167981021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).