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

C10H7ClN2O3 — CID 1472625

IUPAC2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetic acid
SMILESO=C(O)Cc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C10H7ClN2O3/c11-7-3-1-6(2-4-7)10-12-8(16-13-10)5-9(14)15/h1-4H,5H2,(H,14,15)
InChIKeySUVXWDJZJAVWEA-UHFFFAOYSA-N
MW238.63 g/mol
LogP2.02
Rot. Bonds3

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

2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetic acid (PubChem CID 1472625) has the molecular formula C10H7ClN2O3 and a molecular weight of 238.63 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetic acid
PubChem CID1472625
Molecular FormulaC10H7ClN2O3
Molecular Weight238.63 g/mol
Exact Mass238.01
IUPAC Name2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetic acid
SMILESO=C(O)Cc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C10H7ClN2O3/c11-7-3-1-6(2-4-7)10-12-8(16-13-10)5-9(14)15/h1-4H,5H2,(H,14,15)
InChIKeySUVXWDJZJAVWEA-UHFFFAOYSA-N
XLogP2.02
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.63
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetic acid?
The IUPAC name of 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetic acid (CID 1472625) is 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetic acid?
The canonical SMILES for 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetic acid is O=C(O)Cc1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetic acid?
The InChIKey is SUVXWDJZJAVWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O3/c11-7-3-1-6(2-4-7)10-12-8(16-13-10)5-9(14)15/h1-4H,5H2,(H,14,15).
What are the key properties of 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetic acid?
2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetic acid has a molecular weight of 238.63 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetic acid is sourced from PubChem (CID 1472625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).