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

C14H14N2O3 — CID 63382223

IUPAC4-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2nnc(C3CCCC3)o2)cc1
InChIInChI=1S/C14H14N2O3/c17-14(18)11-7-5-10(6-8-11)13-16-15-12(19-13)9-3-1-2-4-9/h5-9H,1-4H2,(H,17,18)
InChIKeyPODIHUVQCLWVLZ-UHFFFAOYSA-N
MW258.28 g/mol
LogP3.09
Rot. Bonds3

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

4-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)benzoic acid (PubChem CID 63382223) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 4-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)benzoic acid.

Molecular Properties

Compound Name4-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)benzoic acid
PubChem CID63382223
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name4-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2nnc(C3CCCC3)o2)cc1
InChIInChI=1S/C14H14N2O3/c17-14(18)11-7-5-10(6-8-11)13-16-15-12(19-13)9-3-1-2-4-9/h5-9H,1-4H2,(H,17,18)
InChIKeyPODIHUVQCLWVLZ-UHFFFAOYSA-N
XLogP3.09
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)benzoic acid?
The IUPAC name of 4-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)benzoic acid (CID 63382223) is 4-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)benzoic acid.
What is the SMILES notation for 4-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)benzoic acid?
The canonical SMILES for 4-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)benzoic acid is O=C(O)c1ccc(-c2nnc(C3CCCC3)o2)cc1.
What is the InChIKey of 4-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)benzoic acid?
The InChIKey is PODIHUVQCLWVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c17-14(18)11-7-5-10(6-8-11)13-16-15-12(19-13)9-3-1-2-4-9/h5-9H,1-4H2,(H,17,18).
What are the key properties of 4-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)benzoic acid?
4-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)benzoic acid has a molecular weight of 258.28 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)benzoic acid is sourced from PubChem (CID 63382223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).