2-[[4-(4-fluorophenyl)-5-(4-methylphenyl)-1,3-oxazol-2-yl]sulfanyl]propanoic acid

C19H16FNO3S — CID 21408641

IUPAC2-[[4-(4-fluorophenyl)-5-(4-methylphenyl)-1,3-oxazol-2-yl]sulfanyl]propanoic acid
SMILESCc1ccc(-c2oc(SC(C)C(=O)O)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H16FNO3S/c1-11-3-5-14(6-4-11)17-16(13-7-9-15(20)10-8-13)21-19(24-17)25-12(2)18(22)23/h3-10,12H,1-2H3,(H,22,23)
InChIKeyQRWJKFOUGLNJQX-UHFFFAOYSA-N
MW357.41 g/mol
LogP5.02
Rot. Bonds5

About 2-[[4-(4-fluorophenyl)-5-(4-methylphenyl)-1,3-oxazol-2-yl]sulfanyl]propanoic acid

2-[[4-(4-fluorophenyl)-5-(4-methylphenyl)-1,3-oxazol-2-yl]sulfanyl]propanoic acid (PubChem CID 21408641) has the molecular formula C19H16FNO3S and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-[[4-(4-fluorophenyl)-5-(4-methylphenyl)-1,3-oxazol-2-yl]sulfanyl]propanoic acid.

Molecular Properties

Compound Name2-[[4-(4-fluorophenyl)-5-(4-methylphenyl)-1,3-oxazol-2-yl]sulfanyl]propanoic acid
PubChem CID21408641
Molecular FormulaC19H16FNO3S
Molecular Weight357.41 g/mol
Exact Mass357.08
IUPAC Name2-[[4-(4-fluorophenyl)-5-(4-methylphenyl)-1,3-oxazol-2-yl]sulfanyl]propanoic acid
SMILESCc1ccc(-c2oc(SC(C)C(=O)O)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H16FNO3S/c1-11-3-5-14(6-4-11)17-16(13-7-9-15(20)10-8-13)21-19(24-17)25-12(2)18(22)23/h3-10,12H,1-2H3,(H,22,23)
InChIKeyQRWJKFOUGLNJQX-UHFFFAOYSA-N
XLogP5.02
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.41
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[4-(4-fluorophenyl)-5-(4-methylphenyl)-1,3-oxazol-2-yl]sulfanyl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluorophenyl)-5-(4-methylphenyl)-1,3-oxazol-2-yl]sulfanyl]propanoic acid?
The IUPAC name of 2-[[4-(4-fluorophenyl)-5-(4-methylphenyl)-1,3-oxazol-2-yl]sulfanyl]propanoic acid (CID 21408641) is 2-[[4-(4-fluorophenyl)-5-(4-methylphenyl)-1,3-oxazol-2-yl]sulfanyl]propanoic acid.
What is the SMILES notation for 2-[[4-(4-fluorophenyl)-5-(4-methylphenyl)-1,3-oxazol-2-yl]sulfanyl]propanoic acid?
The canonical SMILES for 2-[[4-(4-fluorophenyl)-5-(4-methylphenyl)-1,3-oxazol-2-yl]sulfanyl]propanoic acid is Cc1ccc(-c2oc(SC(C)C(=O)O)nc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 2-[[4-(4-fluorophenyl)-5-(4-methylphenyl)-1,3-oxazol-2-yl]sulfanyl]propanoic acid?
The InChIKey is QRWJKFOUGLNJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO3S/c1-11-3-5-14(6-4-11)17-16(13-7-9-15(20)10-8-13)21-19(24-17)25-12(2)18(22)23/h3-10,12H,1-2H3,(H,22,23).
What are the key properties of 2-[[4-(4-fluorophenyl)-5-(4-methylphenyl)-1,3-oxazol-2-yl]sulfanyl]propanoic acid?
2-[[4-(4-fluorophenyl)-5-(4-methylphenyl)-1,3-oxazol-2-yl]sulfanyl]propanoic acid has a molecular weight of 357.41 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-fluorophenyl)-5-(4-methylphenyl)-1,3-oxazol-2-yl]sulfanyl]propanoic acid is sourced from PubChem (CID 21408641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).