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

C12H10ClNO3 — CID 105423718

IUPAC3-[4-(3-chlorophenyl)-1,2-oxazol-5-yl]propanoic acid
SMILESO=C(O)CCc1oncc1-c1cccc(Cl)c1
InChIInChI=1S/C12H10ClNO3/c13-9-3-1-2-8(6-9)10-7-14-17-11(10)4-5-12(15)16/h1-3,6-7H,4-5H2,(H,15,16)
InChIKeyFJTRUVQMUAXTBZ-UHFFFAOYSA-N
MW251.67 g/mol
LogP3.01
Rot. Bonds4

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

3-[4-(3-chlorophenyl)-1,2-oxazol-5-yl]propanoic acid (PubChem CID 105423718) has the molecular formula C12H10ClNO3 and a molecular weight of 251.67 g/mol. Its IUPAC name is 3-[4-(3-chlorophenyl)-1,2-oxazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(3-chlorophenyl)-1,2-oxazol-5-yl]propanoic acid
PubChem CID105423718
Molecular FormulaC12H10ClNO3
Molecular Weight251.67 g/mol
Exact Mass251.03
IUPAC Name3-[4-(3-chlorophenyl)-1,2-oxazol-5-yl]propanoic acid
SMILESO=C(O)CCc1oncc1-c1cccc(Cl)c1
InChIInChI=1S/C12H10ClNO3/c13-9-3-1-2-8(6-9)10-7-14-17-11(10)4-5-12(15)16/h1-3,6-7H,4-5H2,(H,15,16)
InChIKeyFJTRUVQMUAXTBZ-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-[4-(3-fluorophenyl)-1,2-oxazol-5-yl]propanoic acid
CID 105423523
3-[4-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propanoic acid
CID 105423991
2-[4-(3-bromophenyl)-1,2-oxazol-5-yl]acetic acid
CID 105423960
4-(3-chlorophenyl)-5-(piperidin-4-ylmethyl)-1,2-oxazole
CID 115053994
3-[2-(3-chlorophenyl)quinolin-4-yl]propanoic acid;hydrochloride
CID 170330550
5-(3-chlorophenyl)-1,2-oxazol-4-amine
CID 82400734
[5-(3-chlorophenyl)-1,2-oxazol-4-yl]methanol
CID 22221442
2-chloro-5-(3-chlorophenyl)pyridine-4-carboxylic acid
CID 53223009
2-[4-(2-chlorophenyl)-1,2-oxazol-5-yl]acetic acid
CID 105423586
1-chloro-3-(2-phenylphenyl)benzene
CID 69293962
3,6-bis(3-chlorophenyl)benzene-1,2,4,5-tetracarboxylic acid
CID 139733778
1-[5-[(3-chlorophenyl)methyl]-1,2-oxazol-4-yl]ethanone
CID 115093711

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-chlorophenyl)-1,2-oxazol-5-yl]propanoic acid?
The IUPAC name of 3-[4-(3-chlorophenyl)-1,2-oxazol-5-yl]propanoic acid (CID 105423718) is 3-[4-(3-chlorophenyl)-1,2-oxazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[4-(3-chlorophenyl)-1,2-oxazol-5-yl]propanoic acid?
The canonical SMILES for 3-[4-(3-chlorophenyl)-1,2-oxazol-5-yl]propanoic acid is O=C(O)CCc1oncc1-c1cccc(Cl)c1.
What is the InChIKey of 3-[4-(3-chlorophenyl)-1,2-oxazol-5-yl]propanoic acid?
The InChIKey is FJTRUVQMUAXTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO3/c13-9-3-1-2-8(6-9)10-7-14-17-11(10)4-5-12(15)16/h1-3,6-7H,4-5H2,(H,15,16).
What are the key properties of 3-[4-(3-chlorophenyl)-1,2-oxazol-5-yl]propanoic acid?
3-[4-(3-chlorophenyl)-1,2-oxazol-5-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-(3-chlorophenyl)-1,2-oxazol-5-yl]propanoic acid is sourced from PubChem (CID 105423718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).