1-(2,4-difluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide

C12H12F2N2O3S — CID 75396192

IUPAC1-(2,4-difluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide
SMILESCc1cnc(CNS(=O)(=O)Cc2ccc(F)cc2F)o1
InChIInChI=1S/C12H12F2N2O3S/c1-8-5-15-12(19-8)6-16-20(17,18)7-9-2-3-10(13)4-11(9)14/h2-5,16H,6-7H2,1H3
InChIKeyHFLKWTDTXHTFFH-UHFFFAOYSA-N
MW302.30 g/mol
LogP1.88
Rot. Bonds5

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

1-(2,4-difluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide (PubChem CID 75396192) has the molecular formula C12H12F2N2O3S and a molecular weight of 302.30 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide
PubChem CID75396192
Molecular FormulaC12H12F2N2O3S
Molecular Weight302.30 g/mol
Exact Mass302.05
IUPAC Name1-(2,4-difluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide
SMILESCc1cnc(CNS(=O)(=O)Cc2ccc(F)cc2F)o1
InChIInChI=1S/C12H12F2N2O3S/c1-8-5-15-12(19-8)6-16-20(17,18)7-9-2-3-10(13)4-11(9)14/h2-5,16H,6-7H2,1H3
InChIKeyHFLKWTDTXHTFFH-UHFFFAOYSA-N
XLogP1.88
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(2,4-difluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide (CID 75396192) is 1-(2,4-difluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide is Cc1cnc(CNS(=O)(=O)Cc2ccc(F)cc2F)o1.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide?
The InChIKey is HFLKWTDTXHTFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O3S/c1-8-5-15-12(19-8)6-16-20(17,18)7-9-2-3-10(13)4-11(9)14/h2-5,16H,6-7H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide?
1-(2,4-difluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide has a molecular weight of 302.30 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide is sourced from PubChem (CID 75396192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).