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

C19H17NO3 — CID 54284142

IUPAC3-[5-(4-methylphenyl)-4-phenyl-1,3-oxazol-2-yl]propanoic acid
SMILESCc1ccc(-c2oc(CCC(=O)O)nc2-c2ccccc2)cc1
InChIInChI=1S/C19H17NO3/c1-13-7-9-15(10-8-13)19-18(14-5-3-2-4-6-14)20-16(23-19)11-12-17(21)22/h2-10H,11-12H2,1H3,(H,21,22)
InChIKeyRSXGMWMTHFUXOJ-UHFFFAOYSA-N
MW307.35 g/mol
LogP4.33
Rot. Bonds5

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

3-[5-(4-methylphenyl)-4-phenyl-1,3-oxazol-2-yl]propanoic acid (PubChem CID 54284142) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-[5-(4-methylphenyl)-4-phenyl-1,3-oxazol-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(4-methylphenyl)-4-phenyl-1,3-oxazol-2-yl]propanoic acid
PubChem CID54284142
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name3-[5-(4-methylphenyl)-4-phenyl-1,3-oxazol-2-yl]propanoic acid
SMILESCc1ccc(-c2oc(CCC(=O)O)nc2-c2ccccc2)cc1
InChIInChI=1S/C19H17NO3/c1-13-7-9-15(10-8-13)19-18(14-5-3-2-4-6-14)20-16(23-19)11-12-17(21)22/h2-10H,11-12H2,1H3,(H,21,22)
InChIKeyRSXGMWMTHFUXOJ-UHFFFAOYSA-N
XLogP4.33
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methylphenyl)-4-phenyl-1,3-oxazol-2-yl]propanoic acid?
The IUPAC name of 3-[5-(4-methylphenyl)-4-phenyl-1,3-oxazol-2-yl]propanoic acid (CID 54284142) is 3-[5-(4-methylphenyl)-4-phenyl-1,3-oxazol-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-(4-methylphenyl)-4-phenyl-1,3-oxazol-2-yl]propanoic acid?
The canonical SMILES for 3-[5-(4-methylphenyl)-4-phenyl-1,3-oxazol-2-yl]propanoic acid is Cc1ccc(-c2oc(CCC(=O)O)nc2-c2ccccc2)cc1.
What is the InChIKey of 3-[5-(4-methylphenyl)-4-phenyl-1,3-oxazol-2-yl]propanoic acid?
The InChIKey is RSXGMWMTHFUXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-13-7-9-15(10-8-13)19-18(14-5-3-2-4-6-14)20-16(23-19)11-12-17(21)22/h2-10H,11-12H2,1H3,(H,21,22).
What are the key properties of 3-[5-(4-methylphenyl)-4-phenyl-1,3-oxazol-2-yl]propanoic acid?
3-[5-(4-methylphenyl)-4-phenyl-1,3-oxazol-2-yl]propanoic acid has a molecular weight of 307.35 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methylphenyl)-4-phenyl-1,3-oxazol-2-yl]propanoic acid is sourced from PubChem (CID 54284142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).