3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-N-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanamide

C22H18FN3O4S — CID 57378499

IUPAC3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-N-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanamide
SMILESCS(=O)(=O)c1ccc(C(Cc2ccc(F)cc2)C(=O)Nc2nc3ncccc3o2)cc1
InChIInChI=1S/C22H18FN3O4S/c1-31(28,29)17-10-6-15(7-11-17)18(13-14-4-8-16(23)9-5-14)21(27)26-22-25-20-19(30-22)3-2-12-24-20/h2-12,18H,13H2,1H3,(H,24,25,26,27)
InChIKeyRQWQGCLIWXLPID-UHFFFAOYSA-N
MW439.47 g/mol
LogP3.73
Rot. Bonds6

About 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-N-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanamide

3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-N-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanamide (PubChem CID 57378499) has the molecular formula C22H18FN3O4S and a molecular weight of 439.47 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-N-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-N-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanamide
PubChem CID57378499
Molecular FormulaC22H18FN3O4S
Molecular Weight439.47 g/mol
Exact Mass439.10
IUPAC Name3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-N-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanamide
SMILESCS(=O)(=O)c1ccc(C(Cc2ccc(F)cc2)C(=O)Nc2nc3ncccc3o2)cc1
InChIInChI=1S/C22H18FN3O4S/c1-31(28,29)17-10-6-15(7-11-17)18(13-14-4-8-16(23)9-5-14)21(27)26-22-25-20-19(30-22)3-2-12-24-20/h2-12,18H,13H2,1H3,(H,24,25,26,27)
InChIKeyRQWQGCLIWXLPID-UHFFFAOYSA-N
XLogP3.73
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-N-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanamide?
The IUPAC name of 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-N-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanamide (CID 57378499) is 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-N-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-N-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-N-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanamide is CS(=O)(=O)c1ccc(C(Cc2ccc(F)cc2)C(=O)Nc2nc3ncccc3o2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-N-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanamide?
The InChIKey is RQWQGCLIWXLPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O4S/c1-31(28,29)17-10-6-15(7-11-17)18(13-14-4-8-16(23)9-5-14)21(27)26-22-25-20-19(30-22)3-2-12-24-20/h2-12,18H,13H2,1H3,(H,24,25,26,27).
What are the key properties of 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-N-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanamide?
3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-N-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanamide has a molecular weight of 439.47 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-N-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanamide is sourced from PubChem (CID 57378499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).