(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-cyclopentylacetate

C16H18N2O3 — CID 78760189

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-cyclopentylacetate
SMILESO=C(CC1CCCC1)OCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C16H18N2O3/c19-15(10-12-6-4-5-7-12)20-11-14-17-18-16(21-14)13-8-2-1-3-9-13/h1-3,8-9,12H,4-7,10-11H2
InChIKeyFXGBXVVRYPZOPR-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.36
Rot. Bonds5

About (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-cyclopentylacetate

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-cyclopentylacetate (PubChem CID 78760189) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-cyclopentylacetate.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-cyclopentylacetate
PubChem CID78760189
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-cyclopentylacetate
SMILESO=C(CC1CCCC1)OCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C16H18N2O3/c19-15(10-12-6-4-5-7-12)20-11-14-17-18-16(21-14)13-8-2-1-3-9-13/h1-3,8-9,12H,4-7,10-11H2
InChIKeyFXGBXVVRYPZOPR-UHFFFAOYSA-N
XLogP3.36
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate
CID 7635071
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-phenylcyclopentane-1-carboxylate
CID 8610527
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-phenylsulfanylpropanoate
CID 78760954
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(pyrrolidine-1-carbothioylsulfanyl)acetate
CID 8631807
[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-cyclopentylpropanoate
CID 4857212
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(2-methylphenoxy)acetate
CID 7767710
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(2-oxo-1-pyridinyl)acetate
CID 8986952
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7821532
4-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]benzoic acid
CID 63382261
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl furan-2-carboxylate
CID 2081182
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3,3-diphenylpropanoate
CID 16528018
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(9-oxoacridin-10-yl)acetate
CID 16587380

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-cyclopentylacetate?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-cyclopentylacetate (CID 78760189) is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-cyclopentylacetate.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-cyclopentylacetate?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-cyclopentylacetate is O=C(CC1CCCC1)OCc1nnc(-c2ccccc2)o1.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-cyclopentylacetate?
The InChIKey is FXGBXVVRYPZOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-15(10-12-6-4-5-7-12)20-11-14-17-18-16(21-14)13-8-2-1-3-9-13/h1-3,8-9,12H,4-7,10-11H2.
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-cyclopentylacetate?
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-cyclopentylacetate has a molecular weight of 286.33 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-cyclopentylacetate is sourced from PubChem (CID 78760189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).