3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoic acid

C12H10N2O3 — CID 11736357

IUPAC3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoic acid
SMILESO=C(O)c1cccc(-c2noc(C3CC3)n2)c1
InChIInChI=1S/C12H10N2O3/c15-12(16)9-3-1-2-8(6-9)10-13-11(17-14-10)7-4-5-7/h1-3,6-7H,4-5H2,(H,15,16)
InChIKeyBINCAUXZQKKNIA-UHFFFAOYSA-N
MW230.22 g/mol
LogP2.31
Rot. Bonds3

About 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoic acid

3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoic acid (PubChem CID 11736357) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoic acid.

Molecular Properties

Compound Name3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoic acid
PubChem CID11736357
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoic acid
SMILESO=C(O)c1cccc(-c2noc(C3CC3)n2)c1
InChIInChI=1S/C12H10N2O3/c15-12(16)9-3-1-2-8(6-9)10-13-11(17-14-10)7-4-5-7/h1-3,6-7H,4-5H2,(H,15,16)
InChIKeyBINCAUXZQKKNIA-UHFFFAOYSA-N
XLogP2.31
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoic acid?
The IUPAC name of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoic acid (CID 11736357) is 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoic acid.
What is the SMILES notation for 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoic acid?
The canonical SMILES for 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoic acid is O=C(O)c1cccc(-c2noc(C3CC3)n2)c1.
What is the InChIKey of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoic acid?
The InChIKey is BINCAUXZQKKNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c15-12(16)9-3-1-2-8(6-9)10-13-11(17-14-10)7-4-5-7/h1-3,6-7H,4-5H2,(H,15,16).
What are the key properties of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoic acid?
3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoic acid has a molecular weight of 230.22 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoic acid is sourced from PubChem (CID 11736357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).