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

C11H8ClNO3 — CID 105423586

IUPAC2-[4-(2-chlorophenyl)-1,2-oxazol-5-yl]acetic acid
SMILESO=C(O)Cc1oncc1-c1ccccc1Cl
InChIInChI=1S/C11H8ClNO3/c12-9-4-2-1-3-7(9)8-6-13-16-10(8)5-11(14)15/h1-4,6H,5H2,(H,14,15)
InChIKeyOKCYKQLFAUEIHP-UHFFFAOYSA-N
MW237.64 g/mol
LogP2.62
Rot. Bonds3

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

2-[4-(2-chlorophenyl)-1,2-oxazol-5-yl]acetic acid (PubChem CID 105423586) has the molecular formula C11H8ClNO3 and a molecular weight of 237.64 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)-1,2-oxazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)-1,2-oxazol-5-yl]acetic acid
PubChem CID105423586
Molecular FormulaC11H8ClNO3
Molecular Weight237.64 g/mol
Exact Mass237.02
IUPAC Name2-[4-(2-chlorophenyl)-1,2-oxazol-5-yl]acetic acid
SMILESO=C(O)Cc1oncc1-c1ccccc1Cl
InChIInChI=1S/C11H8ClNO3/c12-9-4-2-1-3-7(9)8-6-13-16-10(8)5-11(14)15/h1-4,6H,5H2,(H,14,15)
InChIKeyOKCYKQLFAUEIHP-UHFFFAOYSA-N
XLogP2.62
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.64
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3-bromophenyl)-1,2-oxazol-5-yl]acetic acid
CID 105423960
2-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]acetic acid
CID 105423713
2-[5-(2-chlorophenyl)thiophen-2-yl]acetic acid
CID 84756419
2-[2-chloro-4-(2-chlorophenyl)phenyl]acetic acid
CID 176516186
2-(7-chloro-2,1-benzoxazol-3-yl)acetic acid
CID 105465494
sodium;2-(2-chlorophenyl)acetic acid;hydride
CID 174699179
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone
CID 63345476
3-[4-(3-chlorophenyl)-1,2-oxazol-5-yl]propanoic acid
CID 105423718
3-[4-(2-chlorophenyl)-1,2-oxazol-3-yl]propanoic acid
CID 105423723
2-chloro-6-(2-chlorophenyl)benzoic acid
CID 53225809
2-[2-(2-chlorophenyl)phenyl]acetamide
CID 46212314
2-[2-(3-chloro-2-methylphenyl)phenyl]acetic acid
CID 123817311

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenyl)-1,2-oxazol-5-yl]acetic acid?
The IUPAC name of 2-[4-(2-chlorophenyl)-1,2-oxazol-5-yl]acetic acid (CID 105423586) is 2-[4-(2-chlorophenyl)-1,2-oxazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-chlorophenyl)-1,2-oxazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-(2-chlorophenyl)-1,2-oxazol-5-yl]acetic acid is O=C(O)Cc1oncc1-c1ccccc1Cl.
What is the InChIKey of 2-[4-(2-chlorophenyl)-1,2-oxazol-5-yl]acetic acid?
The InChIKey is OKCYKQLFAUEIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO3/c12-9-4-2-1-3-7(9)8-6-13-16-10(8)5-11(14)15/h1-4,6H,5H2,(H,14,15).
What are the key properties of 2-[4-(2-chlorophenyl)-1,2-oxazol-5-yl]acetic acid?
2-[4-(2-chlorophenyl)-1,2-oxazol-5-yl]acetic acid has a molecular weight of 237.64 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenyl)-1,2-oxazol-5-yl]acetic acid is sourced from PubChem (CID 105423586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).