2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]amino]-3-phenylpropanoic acid

C18H15ClN2O3 — CID 3924701

IUPAC2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]amino]-3-phenylpropanoic acid
SMILESO=C(O)C(Cc1ccccc1)Nc1cc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C18H15ClN2O3/c19-14-8-6-13(7-9-14)15-11-17(24-21-15)20-16(18(22)23)10-12-4-2-1-3-5-12/h1-9,11,16,20H,10H2,(H,22,23)
InChIKeyPWSLUBYNZQSQGQ-UHFFFAOYSA-N
MW342.78 g/mol
LogP4.10
Rot. Bonds6

About 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]amino]-3-phenylpropanoic acid

2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]amino]-3-phenylpropanoic acid (PubChem CID 3924701) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]amino]-3-phenylpropanoic acid
PubChem CID3924701
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC Name2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]amino]-3-phenylpropanoic acid
SMILESO=C(O)C(Cc1ccccc1)Nc1cc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C18H15ClN2O3/c19-14-8-6-13(7-9-14)15-11-17(24-21-15)20-16(18(22)23)10-12-4-2-1-3-5-12/h1-9,11,16,20H,10H2,(H,22,23)
InChIKeyPWSLUBYNZQSQGQ-UHFFFAOYSA-N
XLogP4.10
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]amino]-3-phenylpropanoic acid?
The IUPAC name of 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]amino]-3-phenylpropanoic acid (CID 3924701) is 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]amino]-3-phenylpropanoic acid.
What is the SMILES notation for 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]amino]-3-phenylpropanoic acid?
The canonical SMILES for 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]amino]-3-phenylpropanoic acid is O=C(O)C(Cc1ccccc1)Nc1cc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]amino]-3-phenylpropanoic acid?
The InChIKey is PWSLUBYNZQSQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c19-14-8-6-13(7-9-14)15-11-17(24-21-15)20-16(18(22)23)10-12-4-2-1-3-5-12/h1-9,11,16,20H,10H2,(H,22,23).
What are the key properties of 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]amino]-3-phenylpropanoic acid?
2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]amino]-3-phenylpropanoic acid has a molecular weight of 342.78 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]amino]-3-phenylpropanoic acid is sourced from PubChem (CID 3924701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).