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

C19H17FN2O4S — CID 11949321

IUPAC3-[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]propanamide
SMILESCS(=O)(=O)c1ccc(-c2oc(CCC(N)=O)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H17FN2O4S/c1-27(24,25)15-8-4-13(5-9-15)19-18(12-2-6-14(20)7-3-12)22-17(26-19)11-10-16(21)23/h2-9H,10-11H2,1H3,(H2,21,23)
InChIKeyZDNIJEYVQOMFEU-UHFFFAOYSA-N
MW388.42 g/mol
LogP2.97
Rot. Bonds6

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

3-[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 11949321) has the molecular formula C19H17FN2O4S and a molecular weight of 388.42 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID11949321
Molecular FormulaC19H17FN2O4S
Molecular Weight388.42 g/mol
Exact Mass388.09
IUPAC Name3-[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]propanamide
SMILESCS(=O)(=O)c1ccc(-c2oc(CCC(N)=O)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H17FN2O4S/c1-27(24,25)15-8-4-13(5-9-15)19-18(12-2-6-14(20)7-3-12)22-17(26-19)11-10-16(21)23/h2-9H,10-11H2,1H3,(H2,21,23)
InChIKeyZDNIJEYVQOMFEU-UHFFFAOYSA-N
XLogP2.97
TPSA103.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of 3-[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]propanamide (CID 11949321) is 3-[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for 3-[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for 3-[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]propanamide is CS(=O)(=O)c1ccc(-c2oc(CCC(N)=O)nc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 3-[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is ZDNIJEYVQOMFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O4S/c1-27(24,25)15-8-4-13(5-9-15)19-18(12-2-6-14(20)7-3-12)22-17(26-19)11-10-16(21)23/h2-9H,10-11H2,1H3,(H2,21,23).
What are the key properties of 3-[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]propanamide?
3-[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 388.42 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 11949321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).