5-(1-phenylcyclopentyl)-1,3,4-oxadiazole-2-carboxylic acid

C14H14N2O3 — CID 166104460

IUPAC5-(1-phenylcyclopentyl)-1,3,4-oxadiazole-2-carboxylic acid
SMILESO=C(O)c1nnc(C2(c3ccccc3)CCCC2)o1
InChIInChI=1S/C14H14N2O3/c17-12(18)11-15-16-13(19-11)14(8-4-5-9-14)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,17,18)
InChIKeyZSANGHPEEULZFY-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.63
Rot. Bonds3

About 5-(1-phenylcyclopentyl)-1,3,4-oxadiazole-2-carboxylic acid

5-(1-phenylcyclopentyl)-1,3,4-oxadiazole-2-carboxylic acid (PubChem CID 166104460) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 5-(1-phenylcyclopentyl)-1,3,4-oxadiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-(1-phenylcyclopentyl)-1,3,4-oxadiazole-2-carboxylic acid
PubChem CID166104460
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name5-(1-phenylcyclopentyl)-1,3,4-oxadiazole-2-carboxylic acid
SMILESO=C(O)c1nnc(C2(c3ccccc3)CCCC2)o1
InChIInChI=1S/C14H14N2O3/c17-12(18)11-15-16-13(19-11)14(8-4-5-9-14)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,17,18)
InChIKeyZSANGHPEEULZFY-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-phenylcyclopropyl)-1,3,4-oxadiazol-2-amine
CID 62877248
2-(1-phenylcyclopentyl)pyrimidine-5-carboxylic acid
CID 63080980
[3-(phenoxymethyl)piperidin-1-yl]-[5-(3-phenyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]methanone
CID 166104915
5-(1-methyl-4-phenylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine
CID 21300164
1,1-diphenylcyclotetradecane
CID 175822005
2-(1-phenylcyclohexyl)benzoic acid
CID 67822323
N-[(7R)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]-5-(1-phenylcyclopropyl)-1,3,4-oxadiazole-2-carboxamide
CID 130299411
ethane;methanol;(1-phenylcyclohexyl)benzene
CID 91580542
N-[[5-(1-phenylcyclopropyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62881941
4-amino-2-(1-phenylcyclopentyl)pyrimidine-5-carboxylic acid
CID 116640865
2-(4-phenyloxan-4-yl)-5-propan-2-yl-1,3,4-oxadiazole
CID 56784751
3-(1-phenylcyclohexyl)-1,2,4-oxadiazole-5-carbaldehyde
CID 55243061

Frequently Asked Questions

What is the IUPAC name of 5-(1-phenylcyclopentyl)-1,3,4-oxadiazole-2-carboxylic acid?
The IUPAC name of 5-(1-phenylcyclopentyl)-1,3,4-oxadiazole-2-carboxylic acid (CID 166104460) is 5-(1-phenylcyclopentyl)-1,3,4-oxadiazole-2-carboxylic acid.
What is the SMILES notation for 5-(1-phenylcyclopentyl)-1,3,4-oxadiazole-2-carboxylic acid?
The canonical SMILES for 5-(1-phenylcyclopentyl)-1,3,4-oxadiazole-2-carboxylic acid is O=C(O)c1nnc(C2(c3ccccc3)CCCC2)o1.
What is the InChIKey of 5-(1-phenylcyclopentyl)-1,3,4-oxadiazole-2-carboxylic acid?
The InChIKey is ZSANGHPEEULZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c17-12(18)11-15-16-13(19-11)14(8-4-5-9-14)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,17,18).
What are the key properties of 5-(1-phenylcyclopentyl)-1,3,4-oxadiazole-2-carboxylic acid?
5-(1-phenylcyclopentyl)-1,3,4-oxadiazole-2-carboxylic acid has a molecular weight of 258.28 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-phenylcyclopentyl)-1,3,4-oxadiazole-2-carboxylic acid is sourced from PubChem (CID 166104460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).