N-(1-cyclobutylethyl)-1-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanesulfonamide

C16H19FN2O3S — CID 84600225

IUPACN-(1-cyclobutylethyl)-1-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanesulfonamide
SMILESCC(NS(=O)(=O)Cc1cc(-c2ccc(F)cc2)no1)C1CCC1
InChIInChI=1S/C16H19FN2O3S/c1-11(12-3-2-4-12)19-23(20,21)10-15-9-16(18-22-15)13-5-7-14(17)8-6-13/h5-9,11-12,19H,2-4,10H2,1H3
InChIKeyPFYCVIROHRYQHA-UHFFFAOYSA-N
MW338.40 g/mol
LogP3.09
Rot. Bonds6

About N-(1-cyclobutylethyl)-1-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanesulfonamide

N-(1-cyclobutylethyl)-1-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanesulfonamide (PubChem CID 84600225) has the molecular formula C16H19FN2O3S and a molecular weight of 338.40 g/mol. Its IUPAC name is N-(1-cyclobutylethyl)-1-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanesulfonamide.

Molecular Properties

Compound NameN-(1-cyclobutylethyl)-1-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanesulfonamide
PubChem CID84600225
Molecular FormulaC16H19FN2O3S
Molecular Weight338.40 g/mol
Exact Mass338.11
IUPAC NameN-(1-cyclobutylethyl)-1-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanesulfonamide
SMILESCC(NS(=O)(=O)Cc1cc(-c2ccc(F)cc2)no1)C1CCC1
InChIInChI=1S/C16H19FN2O3S/c1-11(12-3-2-4-12)19-23(20,21)10-15-9-16(18-22-15)13-5-7-14(17)8-6-13/h5-9,11-12,19H,2-4,10H2,1H3
InChIKeyPFYCVIROHRYQHA-UHFFFAOYSA-N
XLogP3.09
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-cyclopropyl-2-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]propanamide
CID 94087908
2-bromo-N-(1-cyclobutylethyl)-4-fluorobenzenesulfonamide
CID 113338285
[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanol
CID 22064141
N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-piperidin-1-ylpropan-2-amine
CID 122564163
1-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]ethanamine
CID 114420287
1-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylic acid
CID 119906674
N-(1-cyclobutylethyl)-1-[3-(ethylaminomethyl)phenyl]methanesulfonamide
CID 106084807
4-fluoro-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-2-(methylsulfonylmethyl)aniline
CID 99620886
N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-[(3R)-pyrrolidin-3-yl]acetamide
CID 125173596
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(3-phenyl-1,2-oxazol-5-yl)methanesulfonamide
CID 167778750
3-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 40649827
[4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-methylpiperazin-2-yl]methanol
CID 136563170

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylethyl)-1-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanesulfonamide?
The IUPAC name of N-(1-cyclobutylethyl)-1-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanesulfonamide (CID 84600225) is N-(1-cyclobutylethyl)-1-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanesulfonamide.
What is the SMILES notation for N-(1-cyclobutylethyl)-1-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanesulfonamide?
The canonical SMILES for N-(1-cyclobutylethyl)-1-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanesulfonamide is CC(NS(=O)(=O)Cc1cc(-c2ccc(F)cc2)no1)C1CCC1.
What is the InChIKey of N-(1-cyclobutylethyl)-1-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanesulfonamide?
The InChIKey is PFYCVIROHRYQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O3S/c1-11(12-3-2-4-12)19-23(20,21)10-15-9-16(18-22-15)13-5-7-14(17)8-6-13/h5-9,11-12,19H,2-4,10H2,1H3.
What are the key properties of N-(1-cyclobutylethyl)-1-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanesulfonamide?
N-(1-cyclobutylethyl)-1-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanesulfonamide has a molecular weight of 338.40 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutylethyl)-1-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanesulfonamide is sourced from PubChem (CID 84600225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).