N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-fluorophenyl]-N-methylmethanesulfonamide

C15H15FN2O4S — CID 18350520

IUPACN-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-fluorophenyl]-N-methylmethanesulfonamide
SMILESCN(c1cc(F)ccc1C(=O)c1cnoc1C1CC1)S(C)(=O)=O
InChIInChI=1S/C15H15FN2O4S/c1-18(23(2,20)21)13-7-10(16)5-6-11(13)14(19)12-8-17-22-15(12)9-3-4-9/h5-9H,3-4H2,1-2H3
InChIKeyREJRDCFVBBGKNL-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.32
Rot. Bonds5

About N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-fluorophenyl]-N-methylmethanesulfonamide

N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-fluorophenyl]-N-methylmethanesulfonamide (PubChem CID 18350520) has the molecular formula C15H15FN2O4S and a molecular weight of 338.36 g/mol. Its IUPAC name is N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-fluorophenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-fluorophenyl]-N-methylmethanesulfonamide
PubChem CID18350520
Molecular FormulaC15H15FN2O4S
Molecular Weight338.36 g/mol
Exact Mass338.07
IUPAC NameN-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-fluorophenyl]-N-methylmethanesulfonamide
SMILESCN(c1cc(F)ccc1C(=O)c1cnoc1C1CC1)S(C)(=O)=O
InChIInChI=1S/C15H15FN2O4S/c1-18(23(2,20)21)13-7-10(16)5-6-11(13)14(19)12-8-17-22-15(12)9-3-4-9/h5-9H,3-4H2,1-2H3
InChIKeyREJRDCFVBBGKNL-UHFFFAOYSA-N
XLogP2.32
TPSA80.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-chloro-2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-methylmethanesulfonamide
CID 22620945
(5-cyclopropyl-1,2-oxazol-4-yl)-(2-fluoro-4-methylsulfonylphenyl)methanone
CID 54030727
N-[5-chloro-2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-ethylmethanesulfonamide
CID 22621084
(5-cyclopropyl-1,2-oxazol-4-yl)-[4-fluoro-2-(methylsulfanylmethyl)phenyl]methanone
CID 18950263
[2-[(4-chlorophenyl)methyl]-4-fluorophenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
CID 67718573
[4-chloro-3-methylsulfonyl-2-(trifluoromethyl)phenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
CID 54128440
N-[2,3-dibromo-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-ethylmethanesulfonamide
CID 22621050
(5-chloro-2-methylsulfonylphenyl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
CID 54196821
methyl N-[6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-2-fluoro-3-methylsulfonylphenyl]-N-ethylcarbamate
CID 22621186
(5-cyclopropyl-1,2-oxazol-4-yl)-[2-[(4-fluorophenyl)methyl]-3-methyl-4-methylsulfinylphenyl]methanone
CID 54557923
(3-chloro-4-fluoro-2-methylsulfinylphenyl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
CID 67803231
(4-bromo-3-methoxy-2-methylsulfonylphenyl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
CID 54526989

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-fluorophenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-fluorophenyl]-N-methylmethanesulfonamide (CID 18350520) is N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-fluorophenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-fluorophenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-fluorophenyl]-N-methylmethanesulfonamide is CN(c1cc(F)ccc1C(=O)c1cnoc1C1CC1)S(C)(=O)=O.
What is the InChIKey of N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-fluorophenyl]-N-methylmethanesulfonamide?
The InChIKey is REJRDCFVBBGKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O4S/c1-18(23(2,20)21)13-7-10(16)5-6-11(13)14(19)12-8-17-22-15(12)9-3-4-9/h5-9H,3-4H2,1-2H3.
What are the key properties of N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-fluorophenyl]-N-methylmethanesulfonamide?
N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-fluorophenyl]-N-methylmethanesulfonamide has a molecular weight of 338.36 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-fluorophenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 18350520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).