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

C15H14F2N2O4S — CID 18350486

IUPACN-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-4,5-difluorophenyl]-N-methylmethanesulfonamide
SMILESCN(c1cc(F)c(F)cc1C(=O)c1cnoc1C1CC1)S(C)(=O)=O
InChIInChI=1S/C15H14F2N2O4S/c1-19(24(2,21)22)13-6-12(17)11(16)5-9(13)14(20)10-7-18-23-15(10)8-3-4-8/h5-8H,3-4H2,1-2H3
InChIKeyCYRSISDYLNMREM-UHFFFAOYSA-N
MW356.35 g/mol
LogP2.46
Rot. Bonds5

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

N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-4,5-difluorophenyl]-N-methylmethanesulfonamide (PubChem CID 18350486) has the molecular formula C15H14F2N2O4S and a molecular weight of 356.35 g/mol. Its IUPAC name is N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-4,5-difluorophenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-4,5-difluorophenyl]-N-methylmethanesulfonamide
PubChem CID18350486
Molecular FormulaC15H14F2N2O4S
Molecular Weight356.35 g/mol
Exact Mass356.06
IUPAC NameN-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-4,5-difluorophenyl]-N-methylmethanesulfonamide
SMILESCN(c1cc(F)c(F)cc1C(=O)c1cnoc1C1CC1)S(C)(=O)=O
InChIInChI=1S/C15H14F2N2O4S/c1-19(24(2,21)22)13-6-12(17)11(16)5-9(13)14(20)10-7-18-23-15(10)8-3-4-8/h5-8H,3-4H2,1-2H3
InChIKeyCYRSISDYLNMREM-UHFFFAOYSA-N
XLogP2.46
TPSA80.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-4,5-difluorophenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-4,5-difluorophenyl]-N-methylmethanesulfonamide (CID 18350486) is N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-4,5-difluorophenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-4,5-difluorophenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-4,5-difluorophenyl]-N-methylmethanesulfonamide is CN(c1cc(F)c(F)cc1C(=O)c1cnoc1C1CC1)S(C)(=O)=O.
What is the InChIKey of N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-4,5-difluorophenyl]-N-methylmethanesulfonamide?
The InChIKey is CYRSISDYLNMREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O4S/c1-19(24(2,21)22)13-6-12(17)11(16)5-9(13)14(20)10-7-18-23-15(10)8-3-4-8/h5-8H,3-4H2,1-2H3.
What are the key properties of N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-4,5-difluorophenyl]-N-methylmethanesulfonamide?
N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-4,5-difluorophenyl]-N-methylmethanesulfonamide has a molecular weight of 356.35 g/mol, XLogP of 2.46, 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)-4,5-difluorophenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 18350486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).