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

C14H14N2O3 — CID 132551637

IUPACcyclopentyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate
SMILESO=C(OC1CCCC1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C14H14N2O3/c17-14(18-11-8-4-5-9-11)13-16-15-12(19-13)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2
InChIKeyYRSBCOLPYMNJDU-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.84
Rot. Bonds3

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

cyclopentyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate (PubChem CID 132551637) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is cyclopentyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate.

Molecular Properties

Compound Namecyclopentyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate
PubChem CID132551637
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Namecyclopentyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate
SMILESO=C(OC1CCCC1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C14H14N2O3/c17-14(18-11-8-4-5-9-11)13-16-15-12(19-13)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2
InChIKeyYRSBCOLPYMNJDU-UHFFFAOYSA-N
XLogP2.84
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 22431706
N-cyclohexyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 22431707
cyclopentyl 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate
CID 75402652
N-cyclopropyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 22431746
(5-phenyl-1,3,4-oxadiazol-2-yl)-pyrrolidin-1-ylmethanone
CID 110390874
(3-phenoxyazetidin-1-yl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone
CID 141329300
cyclooctyl 2-(4-methyl-5-phenyl-1,3-oxazol-2-yl)benzoate
CID 54365561
2-cyclopentyl-5-phenyl-1,3,4-oxadiazole
CID 83382259
2-phenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanone
CID 2461697
cyclohexyl 2-phenyl-1,3-thiazole-4-carboxylate
CID 60599245
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (1R)-cyclohex-3-ene-1-carboxylate
CID 7932298
dicyclohexyl benzene-1,2-dicarboxylate;methane
CID 160634913

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate?
The IUPAC name of cyclopentyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate (CID 132551637) is cyclopentyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate.
What is the SMILES notation for cyclopentyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate?
The canonical SMILES for cyclopentyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate is O=C(OC1CCCC1)c1nnc(-c2ccccc2)o1.
What is the InChIKey of cyclopentyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate?
The InChIKey is YRSBCOLPYMNJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c17-14(18-11-8-4-5-9-11)13-16-15-12(19-13)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2.
What are the key properties of cyclopentyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate?
cyclopentyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate has a molecular weight of 258.28 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate is sourced from PubChem (CID 132551637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).