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

C11H10ClNO3 — CID 10537977

IUPAC2-[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid
SMILESO=C(O)CC1CC(c2ccc(Cl)cc2)=NO1
InChIInChI=1S/C11H10ClNO3/c12-8-3-1-7(2-4-8)10-5-9(16-13-10)6-11(14)15/h1-4,9H,5-6H2,(H,14,15)
InChIKeyHXTGISJGJPKRRU-UHFFFAOYSA-N
MW239.66 g/mol
LogP2.31
Rot. Bonds3

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

2-[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid (PubChem CID 10537977) has the molecular formula C11H10ClNO3 and a molecular weight of 239.66 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid
PubChem CID10537977
Molecular FormulaC11H10ClNO3
Molecular Weight239.66 g/mol
Exact Mass239.03
IUPAC Name2-[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid
SMILESO=C(O)CC1CC(c2ccc(Cl)cc2)=NO1
InChIInChI=1S/C11H10ClNO3/c12-8-3-1-7(2-4-8)10-5-9(16-13-10)6-11(14)15/h1-4,9H,5-6H2,(H,14,15)
InChIKeyHXTGISJGJPKRRU-UHFFFAOYSA-N
XLogP2.31
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Zenuzolac
CID 10798271
(3aS,5R,6aS)-3-(4-chlorophenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole-5-carboxylic acid
CID 168300893
2-(Hydroxyimino)-3-(4-chlorophenyl)propanoic acid
CID 14900044
3-(3-Chlorophenyl)-2-(N-hydroxyimino)propanoic acid
CID 127046786
Methyl 3-(4-chlorophenyl)-4,5-dihydroisoxazole-5-carboxylate
CID 368752
3-(4-Chlorophenyl)-1,2-oxazol-5(4H)-one
CID 606879
3-(2-Chlorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 3164162
4-[3-(4-Chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]butan-2-one
CID 24982811
(2Z)-3-(2-Chlorophenyl)-2-hydroxyiminopropanoic Acid
CID 127046269
3-(2-Chlorophenyl)-1,2-oxazol-5(4H)-one
CID 53425053
3-(3-Chlorophenyl)-4,5-dihydro-1,2-oxazol-5-one
CID 75422059
3-(2,4-Dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 14998617

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid?
The IUPAC name of 2-[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid (CID 10537977) is 2-[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid?
The canonical SMILES for 2-[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid is O=C(O)CC1CC(c2ccc(Cl)cc2)=NO1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid?
The InChIKey is HXTGISJGJPKRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO3/c12-8-3-1-7(2-4-8)10-5-9(16-13-10)6-11(14)15/h1-4,9H,5-6H2,(H,14,15).
What are the key properties of 2-[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid?
2-[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid has a molecular weight of 239.66 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid is sourced from PubChem (CID 10537977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).