3-fluoro-4-methyl-N-(1,2-oxazol-3-ylmethylsulfonyl)benzamide

C12H11FN2O4S — CID 71865442

IUPAC3-fluoro-4-methyl-N-(1,2-oxazol-3-ylmethylsulfonyl)benzamide
SMILESCc1ccc(C(=O)NS(=O)(=O)Cc2ccon2)cc1F
InChIInChI=1S/C12H11FN2O4S/c1-8-2-3-9(6-11(8)13)12(16)15-20(17,18)7-10-4-5-19-14-10/h2-6H,7H2,1H3,(H,15,16)
InChIKeyYVDCYMKSNNRGLI-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.38
Rot. Bonds4

About 3-fluoro-4-methyl-N-(1,2-oxazol-3-ylmethylsulfonyl)benzamide

3-fluoro-4-methyl-N-(1,2-oxazol-3-ylmethylsulfonyl)benzamide (PubChem CID 71865442) has the molecular formula C12H11FN2O4S and a molecular weight of 298.30 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-(1,2-oxazol-3-ylmethylsulfonyl)benzamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-(1,2-oxazol-3-ylmethylsulfonyl)benzamide
PubChem CID71865442
Molecular FormulaC12H11FN2O4S
Molecular Weight298.30 g/mol
Exact Mass298.04
IUPAC Name3-fluoro-4-methyl-N-(1,2-oxazol-3-ylmethylsulfonyl)benzamide
SMILESCc1ccc(C(=O)NS(=O)(=O)Cc2ccon2)cc1F
InChIInChI=1S/C12H11FN2O4S/c1-8-2-3-9(6-11(8)13)12(16)15-20(17,18)7-10-4-5-19-14-10/h2-6H,7H2,1H3,(H,15,16)
InChIKeyYVDCYMKSNNRGLI-UHFFFAOYSA-N
XLogP1.38
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-(1,2-oxazol-3-ylmethylsulfonyl)benzamide?
The IUPAC name of 3-fluoro-4-methyl-N-(1,2-oxazol-3-ylmethylsulfonyl)benzamide (CID 71865442) is 3-fluoro-4-methyl-N-(1,2-oxazol-3-ylmethylsulfonyl)benzamide.
What is the SMILES notation for 3-fluoro-4-methyl-N-(1,2-oxazol-3-ylmethylsulfonyl)benzamide?
The canonical SMILES for 3-fluoro-4-methyl-N-(1,2-oxazol-3-ylmethylsulfonyl)benzamide is Cc1ccc(C(=O)NS(=O)(=O)Cc2ccon2)cc1F.
What is the InChIKey of 3-fluoro-4-methyl-N-(1,2-oxazol-3-ylmethylsulfonyl)benzamide?
The InChIKey is YVDCYMKSNNRGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O4S/c1-8-2-3-9(6-11(8)13)12(16)15-20(17,18)7-10-4-5-19-14-10/h2-6H,7H2,1H3,(H,15,16).
What are the key properties of 3-fluoro-4-methyl-N-(1,2-oxazol-3-ylmethylsulfonyl)benzamide?
3-fluoro-4-methyl-N-(1,2-oxazol-3-ylmethylsulfonyl)benzamide has a molecular weight of 298.30 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-(1,2-oxazol-3-ylmethylsulfonyl)benzamide is sourced from PubChem (CID 71865442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).