3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-fluorophenyl)propanamide

C14H15FN2O2S — CID 47477166

IUPAC3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-fluorophenyl)propanamide
SMILESCc1nc(SCCC(=O)Nc2ccc(F)cc2)oc1C
InChIInChI=1S/C14H15FN2O2S/c1-9-10(2)19-14(16-9)20-8-7-13(18)17-12-5-3-11(15)4-6-12/h3-6H,7-8H2,1-2H3,(H,17,18)
InChIKeyQVWBJAAUNGGHPV-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.55
Rot. Bonds5

About 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-fluorophenyl)propanamide

3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-fluorophenyl)propanamide (PubChem CID 47477166) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-fluorophenyl)propanamide
PubChem CID47477166
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Name3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-fluorophenyl)propanamide
SMILESCc1nc(SCCC(=O)Nc2ccc(F)cc2)oc1C
InChIInChI=1S/C14H15FN2O2S/c1-9-10(2)19-14(16-9)20-8-7-13(18)17-12-5-3-11(15)4-6-12/h3-6H,7-8H2,1-2H3,(H,17,18)
InChIKeyQVWBJAAUNGGHPV-UHFFFAOYSA-N
XLogP3.55
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-fluorophenyl)propanamide?
The IUPAC name of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-fluorophenyl)propanamide (CID 47477166) is 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-fluorophenyl)propanamide?
The canonical SMILES for 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-fluorophenyl)propanamide is Cc1nc(SCCC(=O)Nc2ccc(F)cc2)oc1C.
What is the InChIKey of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-fluorophenyl)propanamide?
The InChIKey is QVWBJAAUNGGHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-9-10(2)19-14(16-9)20-8-7-13(18)17-12-5-3-11(15)4-6-12/h3-6H,7-8H2,1-2H3,(H,17,18).
What are the key properties of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-fluorophenyl)propanamide?
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-fluorophenyl)propanamide has a molecular weight of 294.35 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-fluorophenyl)propanamide is sourced from PubChem (CID 47477166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).