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

C17H12ClNO3 — CID 3061210

IUPAC2-[4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(-c2cc(-c3ccc(Cl)cc3)on2)cc1
InChIInChI=1S/C17H12ClNO3/c18-14-7-5-13(6-8-14)16-10-15(19-22-16)12-3-1-11(2-4-12)9-17(20)21/h1-8,10H,9H2,(H,20,21)
InChIKeyHZDSJDKZWGUJOP-UHFFFAOYSA-N
MW313.74 g/mol
LogP4.29
Rot. Bonds4

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

2-[4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]phenyl]acetic acid (PubChem CID 3061210) has the molecular formula C17H12ClNO3 and a molecular weight of 313.74 g/mol. Its IUPAC name is 2-[4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]phenyl]acetic acid
PubChem CID3061210
Molecular FormulaC17H12ClNO3
Molecular Weight313.74 g/mol
Exact Mass313.05
IUPAC Name2-[4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(-c2cc(-c3ccc(Cl)cc3)on2)cc1
InChIInChI=1S/C17H12ClNO3/c18-14-7-5-13(6-8-14)16-10-15(19-22-16)12-3-1-11(2-4-12)9-17(20)21/h1-8,10H,9H2,(H,20,21)
InChIKeyHZDSJDKZWGUJOP-UHFFFAOYSA-N
XLogP4.29
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]phenyl]acetic acid?
The IUPAC name of 2-[4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]phenyl]acetic acid (CID 3061210) is 2-[4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]phenyl]acetic acid is O=C(O)Cc1ccc(-c2cc(-c3ccc(Cl)cc3)on2)cc1.
What is the InChIKey of 2-[4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]phenyl]acetic acid?
The InChIKey is HZDSJDKZWGUJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO3/c18-14-7-5-13(6-8-14)16-10-15(19-22-16)12-3-1-11(2-4-12)9-17(20)21/h1-8,10H,9H2,(H,20,21).
What are the key properties of 2-[4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]phenyl]acetic acid?
2-[4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]phenyl]acetic acid has a molecular weight of 313.74 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]phenyl]acetic acid is sourced from PubChem (CID 3061210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).