3-[4-(2-chlorophenyl)-1,2-oxazol-3-yl]propanoic acid

C12H10ClNO3 — CID 105423723

IUPAC3-[4-(2-chlorophenyl)-1,2-oxazol-3-yl]propanoic acid
SMILESO=C(O)CCc1nocc1-c1ccccc1Cl
InChIInChI=1S/C12H10ClNO3/c13-10-4-2-1-3-8(10)9-7-17-14-11(9)5-6-12(15)16/h1-4,7H,5-6H2,(H,15,16)
InChIKeyWGBCWRUDYGEYHV-UHFFFAOYSA-N
MW251.67 g/mol
LogP3.01
Rot. Bonds4

About 3-[4-(2-chlorophenyl)-1,2-oxazol-3-yl]propanoic acid

3-[4-(2-chlorophenyl)-1,2-oxazol-3-yl]propanoic acid (PubChem CID 105423723) has the molecular formula C12H10ClNO3 and a molecular weight of 251.67 g/mol. Its IUPAC name is 3-[4-(2-chlorophenyl)-1,2-oxazol-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(2-chlorophenyl)-1,2-oxazol-3-yl]propanoic acid
PubChem CID105423723
Molecular FormulaC12H10ClNO3
Molecular Weight251.67 g/mol
Exact Mass251.03
IUPAC Name3-[4-(2-chlorophenyl)-1,2-oxazol-3-yl]propanoic acid
SMILESO=C(O)CCc1nocc1-c1ccccc1Cl
InChIInChI=1S/C12H10ClNO3/c13-10-4-2-1-3-8(10)9-7-17-14-11(9)5-6-12(15)16/h1-4,7H,5-6H2,(H,15,16)
InChIKeyWGBCWRUDYGEYHV-UHFFFAOYSA-N
XLogP3.01
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(2-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]propanoic acid
CID 164615357
3-(4-propyl-1,2-oxazol-3-yl)propanoic acid
CID 105422800
3-[3-(2,3-dichlorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 17122277
3-(3-ethyl-1,2-oxazol-4-yl)propanoic acid
CID 82597900
3-[4-(2-chlorophenyl)-2-methoxyphenyl]propanoic acid
CID 166398717
2-[4-(2-chlorophenyl)-1,2-oxazol-5-yl]acetic acid
CID 105423586
2-[3-(2-chlorophenyl)-1,2-oxazol-4-yl]ethanamine
CID 82287035
4-(2-chlorophenyl)furan-3-carboxylic acid
CID 117223453
3-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl-ethylamino]propanoic acid
CID 61011299
3-[3-(2-chlorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid
CID 71563426
3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid
CID 861511
2-chloro-6-(2-chlorophenyl)benzoic acid
CID 53225809

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-chlorophenyl)-1,2-oxazol-3-yl]propanoic acid?
The IUPAC name of 3-[4-(2-chlorophenyl)-1,2-oxazol-3-yl]propanoic acid (CID 105423723) is 3-[4-(2-chlorophenyl)-1,2-oxazol-3-yl]propanoic acid.
What is the SMILES notation for 3-[4-(2-chlorophenyl)-1,2-oxazol-3-yl]propanoic acid?
The canonical SMILES for 3-[4-(2-chlorophenyl)-1,2-oxazol-3-yl]propanoic acid is O=C(O)CCc1nocc1-c1ccccc1Cl.
What is the InChIKey of 3-[4-(2-chlorophenyl)-1,2-oxazol-3-yl]propanoic acid?
The InChIKey is WGBCWRUDYGEYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO3/c13-10-4-2-1-3-8(10)9-7-17-14-11(9)5-6-12(15)16/h1-4,7H,5-6H2,(H,15,16).
What are the key properties of 3-[4-(2-chlorophenyl)-1,2-oxazol-3-yl]propanoic acid?
3-[4-(2-chlorophenyl)-1,2-oxazol-3-yl]propanoic acid has a molecular weight of 251.67 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-chlorophenyl)-1,2-oxazol-3-yl]propanoic acid is sourced from PubChem (CID 105423723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).