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

C21H20N2O3 — CID 8610527

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-phenylcyclopentane-1-carboxylate
SMILESO=C(OCc1nnc(-c2ccccc2)o1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C21H20N2O3/c24-20(21(13-7-8-14-21)17-11-5-2-6-12-17)25-15-18-22-23-19(26-18)16-9-3-1-4-10-16/h1-6,9-12H,7-8,13-15H2
InChIKeyJLXUGIHLDNIJIB-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.29
Rot. Bonds5

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

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-phenylcyclopentane-1-carboxylate (PubChem CID 8610527) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-phenylcyclopentane-1-carboxylate.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-phenylcyclopentane-1-carboxylate
PubChem CID8610527
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-phenylcyclopentane-1-carboxylate
SMILESO=C(OCc1nnc(-c2ccccc2)o1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C21H20N2O3/c24-20(21(13-7-8-14-21)17-11-5-2-6-12-17)25-15-18-22-23-19(26-18)16-9-3-1-4-10-16/h1-6,9-12H,7-8,13-15H2
InChIKeyJLXUGIHLDNIJIB-UHFFFAOYSA-N
XLogP4.29
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866171
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7821532
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-cyclopentylacetate
CID 78760189
(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 1-(3-chlorophenyl)cyclopentane-1-carboxylate
CID 71895585
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-phenylsulfanylpropanoate
CID 78546049
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl furan-2-carboxylate
CID 2081182
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204116
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(pyrrolidine-1-carbothioylsulfanyl)acetate
CID 8631807
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-phenylsulfanylpropanoate
CID 78760954
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 2669364
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2,4,6-trimethylbenzoate
CID 7472802
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-methylpyrazole-4-carboxylate
CID 27926807

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-phenylcyclopentane-1-carboxylate?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-phenylcyclopentane-1-carboxylate (CID 8610527) is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-phenylcyclopentane-1-carboxylate.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-phenylcyclopentane-1-carboxylate?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-phenylcyclopentane-1-carboxylate is O=C(OCc1nnc(-c2ccccc2)o1)C1(c2ccccc2)CCCC1.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-phenylcyclopentane-1-carboxylate?
The InChIKey is JLXUGIHLDNIJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c24-20(21(13-7-8-14-21)17-11-5-2-6-12-17)25-15-18-22-23-19(26-18)16-9-3-1-4-10-16/h1-6,9-12H,7-8,13-15H2.
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-phenylcyclopentane-1-carboxylate?
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-phenylcyclopentane-1-carboxylate has a molecular weight of 348.40 g/mol, XLogP of 4.29, 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 1-phenylcyclopentane-1-carboxylate is sourced from PubChem (CID 8610527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).