4-[4-(4-methylsulfonylphenyl)-5-phenyl-1,3-oxazol-2-yl]butanoic acid

C20H19NO5S — CID 11947956

IUPAC4-[4-(4-methylsulfonylphenyl)-5-phenyl-1,3-oxazol-2-yl]butanoic acid
SMILESCS(=O)(=O)c1ccc(-c2nc(CCCC(=O)O)oc2-c2ccccc2)cc1
InChIInChI=1S/C20H19NO5S/c1-27(24,25)16-12-10-14(11-13-16)19-20(15-6-3-2-4-7-15)26-17(21-19)8-5-9-18(22)23/h2-4,6-7,10-13H,5,8-9H2,1H3,(H,22,23)
InChIKeyUFPHEVPZBIPWAN-UHFFFAOYSA-N
MW385.44 g/mol
LogP3.82
Rot. Bonds7

About 4-[4-(4-methylsulfonylphenyl)-5-phenyl-1,3-oxazol-2-yl]butanoic acid

4-[4-(4-methylsulfonylphenyl)-5-phenyl-1,3-oxazol-2-yl]butanoic acid (PubChem CID 11947956) has the molecular formula C20H19NO5S and a molecular weight of 385.44 g/mol. Its IUPAC name is 4-[4-(4-methylsulfonylphenyl)-5-phenyl-1,3-oxazol-2-yl]butanoic acid.

Molecular Properties

Compound Name4-[4-(4-methylsulfonylphenyl)-5-phenyl-1,3-oxazol-2-yl]butanoic acid
PubChem CID11947956
Molecular FormulaC20H19NO5S
Molecular Weight385.44 g/mol
Exact Mass385.10
IUPAC Name4-[4-(4-methylsulfonylphenyl)-5-phenyl-1,3-oxazol-2-yl]butanoic acid
SMILESCS(=O)(=O)c1ccc(-c2nc(CCCC(=O)O)oc2-c2ccccc2)cc1
InChIInChI=1S/C20H19NO5S/c1-27(24,25)16-12-10-14(11-13-16)19-20(15-6-3-2-4-7-15)26-17(21-19)8-5-9-18(22)23/h2-4,6-7,10-13H,5,8-9H2,1H3,(H,22,23)
InChIKeyUFPHEVPZBIPWAN-UHFFFAOYSA-N
XLogP3.82
TPSA97.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methylsulfonylphenyl)-5-phenyl-1,3-oxazol-2-yl]butanoic acid?
The IUPAC name of 4-[4-(4-methylsulfonylphenyl)-5-phenyl-1,3-oxazol-2-yl]butanoic acid (CID 11947956) is 4-[4-(4-methylsulfonylphenyl)-5-phenyl-1,3-oxazol-2-yl]butanoic acid.
What is the SMILES notation for 4-[4-(4-methylsulfonylphenyl)-5-phenyl-1,3-oxazol-2-yl]butanoic acid?
The canonical SMILES for 4-[4-(4-methylsulfonylphenyl)-5-phenyl-1,3-oxazol-2-yl]butanoic acid is CS(=O)(=O)c1ccc(-c2nc(CCCC(=O)O)oc2-c2ccccc2)cc1.
What is the InChIKey of 4-[4-(4-methylsulfonylphenyl)-5-phenyl-1,3-oxazol-2-yl]butanoic acid?
The InChIKey is UFPHEVPZBIPWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5S/c1-27(24,25)16-12-10-14(11-13-16)19-20(15-6-3-2-4-7-15)26-17(21-19)8-5-9-18(22)23/h2-4,6-7,10-13H,5,8-9H2,1H3,(H,22,23).
What are the key properties of 4-[4-(4-methylsulfonylphenyl)-5-phenyl-1,3-oxazol-2-yl]butanoic acid?
4-[4-(4-methylsulfonylphenyl)-5-phenyl-1,3-oxazol-2-yl]butanoic acid has a molecular weight of 385.44 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methylsulfonylphenyl)-5-phenyl-1,3-oxazol-2-yl]butanoic acid is sourced from PubChem (CID 11947956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).