2-[5-(1-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]benzoic acid

C15H16N2O3 — CID 81444364

IUPAC2-[5-(1-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]benzoic acid
SMILESCC1(c2nnc(-c3ccccc3C(=O)O)o2)CCCC1
InChIInChI=1S/C15H16N2O3/c1-15(8-4-5-9-15)14-17-16-12(20-14)10-6-2-3-7-11(10)13(18)19/h2-3,6-7H,4-5,8-9H2,1H3,(H,18,19)
InChIKeyKWBJOLAKOHTNMK-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.27
Rot. Bonds3

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

2-[5-(1-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]benzoic acid (PubChem CID 81444364) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[5-(1-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]benzoic acid.

Molecular Properties

Compound Name2-[5-(1-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]benzoic acid
PubChem CID81444364
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-[5-(1-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]benzoic acid
SMILESCC1(c2nnc(-c3ccccc3C(=O)O)o2)CCCC1
InChIInChI=1S/C15H16N2O3/c1-15(8-4-5-9-15)14-17-16-12(20-14)10-6-2-3-7-11(10)13(18)19/h2-3,6-7H,4-5,8-9H2,1H3,(H,18,19)
InChIKeyKWBJOLAKOHTNMK-UHFFFAOYSA-N
XLogP3.27
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]benzoic acid?
The IUPAC name of 2-[5-(1-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]benzoic acid (CID 81444364) is 2-[5-(1-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]benzoic acid.
What is the SMILES notation for 2-[5-(1-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]benzoic acid?
The canonical SMILES for 2-[5-(1-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]benzoic acid is CC1(c2nnc(-c3ccccc3C(=O)O)o2)CCCC1.
What is the InChIKey of 2-[5-(1-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]benzoic acid?
The InChIKey is KWBJOLAKOHTNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-15(8-4-5-9-15)14-17-16-12(20-14)10-6-2-3-7-11(10)13(18)19/h2-3,6-7H,4-5,8-9H2,1H3,(H,18,19).
What are the key properties of 2-[5-(1-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]benzoic acid?
2-[5-(1-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]benzoic acid has a molecular weight of 272.30 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]benzoic acid is sourced from PubChem (CID 81444364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).