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

C17H13NO3 — CID 3061209

IUPAC2-[4-(5-phenyl-1,2-oxazol-3-yl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(-c2cc(-c3ccccc3)on2)cc1
InChIInChI=1S/C17H13NO3/c19-17(20)10-12-6-8-13(9-7-12)15-11-16(21-18-15)14-4-2-1-3-5-14/h1-9,11H,10H2,(H,19,20)
InChIKeyRJJMUXRJFCPHJL-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.64
Rot. Bonds4

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

2-[4-(5-phenyl-1,2-oxazol-3-yl)phenyl]acetic acid (PubChem CID 3061209) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-[4-(5-phenyl-1,2-oxazol-3-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(5-phenyl-1,2-oxazol-3-yl)phenyl]acetic acid
PubChem CID3061209
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name2-[4-(5-phenyl-1,2-oxazol-3-yl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(-c2cc(-c3ccccc3)on2)cc1
InChIInChI=1S/C17H13NO3/c19-17(20)10-12-6-8-13(9-7-12)15-11-16(21-18-15)14-4-2-1-3-5-14/h1-9,11H,10H2,(H,19,20)
InChIKeyRJJMUXRJFCPHJL-UHFFFAOYSA-N
XLogP3.64
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-phenyl-1,2-oxazol-3-yl)phenyl]acetic acid?
The IUPAC name of 2-[4-(5-phenyl-1,2-oxazol-3-yl)phenyl]acetic acid (CID 3061209) is 2-[4-(5-phenyl-1,2-oxazol-3-yl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(5-phenyl-1,2-oxazol-3-yl)phenyl]acetic acid?
The canonical SMILES for 2-[4-(5-phenyl-1,2-oxazol-3-yl)phenyl]acetic acid is O=C(O)Cc1ccc(-c2cc(-c3ccccc3)on2)cc1.
What is the InChIKey of 2-[4-(5-phenyl-1,2-oxazol-3-yl)phenyl]acetic acid?
The InChIKey is RJJMUXRJFCPHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c19-17(20)10-12-6-8-13(9-7-12)15-11-16(21-18-15)14-4-2-1-3-5-14/h1-9,11H,10H2,(H,19,20).
What are the key properties of 2-[4-(5-phenyl-1,2-oxazol-3-yl)phenyl]acetic acid?
2-[4-(5-phenyl-1,2-oxazol-3-yl)phenyl]acetic acid has a molecular weight of 279.30 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-phenyl-1,2-oxazol-3-yl)phenyl]acetic acid is sourced from PubChem (CID 3061209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).