5-chloro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid

Name: 5-chloro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₁₃ClN₂O₄ — CID 61379423

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC5-chloro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid

SMILESCC(C)c1noc(COc2ccc(Cl)cc2C(=O)O)n1

InChIInChI=1S/C13H13ClN2O4/c1-7(2)12-15-11(20-16-12)6-19-10-4-3-8(14)5-9(10)13(17)18/h3-5,7H,6H2,1-2H3,(H,17,18)

InChIKeyAXEKCBUMNRSAIM-UHFFFAOYSA-N

MW296.71 g/mol

LogP3.12

Rot. Bonds5

About 5-chloro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid

5-chloro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid (PubChem CID 61379423) has the molecular formula C₁₃H₁₃ClN₂O₄ and a molecular weight of 296.71 g/mol. Its IUPAC name is 5-chloro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid.

Molecular Properties

Compound Name	5-chloro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid
PubChem CID	61379423
Molecular Formula	C₁₃H₁₃ClN₂O₄
Molecular Weight	296.71 g/mol
Exact Mass	296.06
IUPAC Name	5-chloro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid
SMILES	CC(C)c1noc(COc2ccc(Cl)cc2C(=O)O)n1
InChI	InChI=1S/C13H13ClN2O4/c1-7(2)12-15-11(20-16-12)6-19-10-4-3-8(14)5-9(10)13(17)18/h3-5,7H,6H2,1-2H3,(H,17,18)
InChIKey	AXEKCBUMNRSAIM-UHFFFAOYSA-N
XLogP	3.12
TPSA	85.45 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	5
Heavy Atoms	20
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	296.71
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid?

The IUPAC name of 5-chloro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid (CID 61379423) is 5-chloro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid.

What is the SMILES notation for 5-chloro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid?

The canonical SMILES for 5-chloro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid is CC(C)c1noc(COc2ccc(Cl)cc2C(=O)O)n1.

What is the InChIKey of 5-chloro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid?

The InChIKey is AXEKCBUMNRSAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O4/c1-7(2)12-15-11(20-16-12)6-19-10-4-3-8(14)5-9(10)13(17)18/h3-5,7H,6H2,1-2H3,(H,17,18).

What are the key properties of 5-chloro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid?

5-chloro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid has a molecular weight of 296.71 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid is sourced from PubChem (CID 61379423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 61379423 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.