2-cyclopentyl-5-phenyl-1,3,4-oxadiazole

C13H14N2O — CID 83382259

IUPAC2-cyclopentyl-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(C3CCCC3)o2)cc1
InChIInChI=1S/C13H14N2O/c1-2-6-10(7-3-1)12-14-15-13(16-12)11-8-4-5-9-11/h1-3,6-7,11H,4-5,8-9H2
InChIKeyJRBGNKIZXSDVNQ-UHFFFAOYSA-N
MW214.27 g/mol
LogP3.39
Rot. Bonds2

About 2-cyclopentyl-5-phenyl-1,3,4-oxadiazole

2-cyclopentyl-5-phenyl-1,3,4-oxadiazole (PubChem CID 83382259) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-cyclopentyl-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclopentyl-5-phenyl-1,3,4-oxadiazole
PubChem CID83382259
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name2-cyclopentyl-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(C3CCCC3)o2)cc1
InChIInChI=1S/C13H14N2O/c1-2-6-10(7-3-1)12-14-15-13(16-12)11-8-4-5-9-11/h1-3,6-7,11H,4-5,8-9H2
InChIKeyJRBGNKIZXSDVNQ-UHFFFAOYSA-N
XLogP3.39
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-5-pyridin-4-yl-1,3,4-oxadiazole
CID 53017492
2-cyclohexyl-5-pyridin-4-yl-1,3,4-oxadiazole
CID 863679
4-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)benzoic acid
CID 63382223
3-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclobutan-1-amine
CID 90064881
cyclohexyl-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 92897675
2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)aniline
CID 62075542
2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole
CID 51137198
phenyl-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 92897703
2-(5-cycloheptyl-1,3,4-oxadiazol-2-yl)benzoic acid
CID 81436210
2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole
CID 51137228
2-phenyl-5-(1-pyrimidin-2-ylpyrrolidin-3-yl)-1,3,4-oxadiazole
CID 75615908
furan-3-yl-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 46392997

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-cyclopentyl-5-phenyl-1,3,4-oxadiazole (CID 83382259) is 2-cyclopentyl-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclopentyl-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclopentyl-5-phenyl-1,3,4-oxadiazole is c1ccc(-c2nnc(C3CCCC3)o2)cc1.
What is the InChIKey of 2-cyclopentyl-5-phenyl-1,3,4-oxadiazole?
The InChIKey is JRBGNKIZXSDVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-2-6-10(7-3-1)12-14-15-13(16-12)11-8-4-5-9-11/h1-3,6-7,11H,4-5,8-9H2.
What are the key properties of 2-cyclopentyl-5-phenyl-1,3,4-oxadiazole?
2-cyclopentyl-5-phenyl-1,3,4-oxadiazole has a molecular weight of 214.27 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 83382259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).