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

C19H17FN2O2S — CID 17439920

IUPAC3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylsulfanylphenyl)propanamide
SMILESCSc1cccc(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)c1
InChIInChI=1S/C19H17FN2O2S/c1-25-16-4-2-3-15(11-16)22-18(23)9-10-19-21-12-17(24-19)13-5-7-14(20)8-6-13/h2-8,11-12H,9-10H2,1H3,(H,22,23)
InChIKeyISEAEUMAMUZFTF-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.77
Rot. Bonds6

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

3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylsulfanylphenyl)propanamide (PubChem CID 17439920) has the molecular formula C19H17FN2O2S and a molecular weight of 356.42 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylsulfanylphenyl)propanamide
PubChem CID17439920
Molecular FormulaC19H17FN2O2S
Molecular Weight356.42 g/mol
Exact Mass356.10
IUPAC Name3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylsulfanylphenyl)propanamide
SMILESCSc1cccc(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)c1
InChIInChI=1S/C19H17FN2O2S/c1-25-16-4-2-3-15(11-16)22-18(23)9-10-19-21-12-17(24-19)13-5-7-14(20)8-6-13/h2-8,11-12H,9-10H2,1H3,(H,22,23)
InChIKeyISEAEUMAMUZFTF-UHFFFAOYSA-N
XLogP4.77
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylsulfanylphenyl)propanamide?
The IUPAC name of 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylsulfanylphenyl)propanamide (CID 17439920) is 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylsulfanylphenyl)propanamide.
What is the SMILES notation for 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylsulfanylphenyl)propanamide?
The canonical SMILES for 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylsulfanylphenyl)propanamide is CSc1cccc(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)c1.
What is the InChIKey of 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylsulfanylphenyl)propanamide?
The InChIKey is ISEAEUMAMUZFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2S/c1-25-16-4-2-3-15(11-16)22-18(23)9-10-19-21-12-17(24-19)13-5-7-14(20)8-6-13/h2-8,11-12H,9-10H2,1H3,(H,22,23).
What are the key properties of 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylsulfanylphenyl)propanamide?
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylsulfanylphenyl)propanamide has a molecular weight of 356.42 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 17439920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).