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

C12H13FN2O3S — CID 110671302

IUPAC1-(4-fluorophenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]methanesulfonamide
SMILESCc1ncoc1CNS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C12H13FN2O3S/c1-9-12(18-8-14-9)6-15-19(16,17)7-10-2-4-11(13)5-3-10/h2-5,8,15H,6-7H2,1H3
InChIKeyALEUNAQBDBPNEL-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.74
Rot. Bonds5

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

1-(4-fluorophenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]methanesulfonamide (PubChem CID 110671302) has the molecular formula C12H13FN2O3S and a molecular weight of 284.31 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]methanesulfonamide
PubChem CID110671302
Molecular FormulaC12H13FN2O3S
Molecular Weight284.31 g/mol
Exact Mass284.06
IUPAC Name1-(4-fluorophenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]methanesulfonamide
SMILESCc1ncoc1CNS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C12H13FN2O3S/c1-9-12(18-8-14-9)6-15-19(16,17)7-10-2-4-11(13)5-3-10/h2-5,8,15H,6-7H2,1H3
InChIKeyALEUNAQBDBPNEL-UHFFFAOYSA-N
XLogP1.74
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]methanesulfonamide (CID 110671302) is 1-(4-fluorophenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]methanesulfonamide is Cc1ncoc1CNS(=O)(=O)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]methanesulfonamide?
The InChIKey is ALEUNAQBDBPNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O3S/c1-9-12(18-8-14-9)6-15-19(16,17)7-10-2-4-11(13)5-3-10/h2-5,8,15H,6-7H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]methanesulfonamide?
1-(4-fluorophenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]methanesulfonamide has a molecular weight of 284.31 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]methanesulfonamide is sourced from PubChem (CID 110671302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).