(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 1-(3-chlorophenyl)cyclopentane-1-carboxylate

C17H19ClN2O3 — CID 71895585

IUPAC(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 1-(3-chlorophenyl)cyclopentane-1-carboxylate
SMILESCCc1nnc(COC(=O)C2(c3cccc(Cl)c3)CCCC2)o1
InChIInChI=1S/C17H19ClN2O3/c1-2-14-19-20-15(23-14)11-22-16(21)17(8-3-4-9-17)12-6-5-7-13(18)10-12/h5-7,10H,2-4,8-9,11H2,1H3
InChIKeyPBGUCAGKDRICHD-UHFFFAOYSA-N
MW334.80 g/mol
LogP3.84
Rot. Bonds5

About (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 1-(3-chlorophenyl)cyclopentane-1-carboxylate

(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 1-(3-chlorophenyl)cyclopentane-1-carboxylate (PubChem CID 71895585) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 1-(3-chlorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 1-(3-chlorophenyl)cyclopentane-1-carboxylate
PubChem CID71895585
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Name(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 1-(3-chlorophenyl)cyclopentane-1-carboxylate
SMILESCCc1nnc(COC(=O)C2(c3cccc(Cl)c3)CCCC2)o1
InChIInChI=1S/C17H19ClN2O3/c1-2-14-19-20-15(23-14)11-22-16(21)17(8-3-4-9-17)12-6-5-7-13(18)10-12/h5-7,10H,2-4,8-9,11H2,1H3
InChIKeyPBGUCAGKDRICHD-UHFFFAOYSA-N
XLogP3.84
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 1-(3-chlorophenyl)cyclopentane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 1-(3-chlorophenyl)cyclobutane-1-carboxylate
CID 55538517
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-phenylcyclopentane-1-carboxylate
CID 8610527
(2-amino-2-oxoethyl) 1-(3-chlorophenyl)cyclopropane-1-carboxylate
CID 51088811
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866171
[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 1-(3-chlorophenyl)cyclohexane-1-carboxylate
CID 24670008
[2-(3,5-dicarbamoylanilino)-2-oxoethyl] 1-(3-chlorophenyl)cyclohexane-1-carboxylate
CID 30656999
1-(3-chlorophenyl)cyclopentane-1-carboxylate
CID 26365664
1-(3-chlorophenyl)-N-prop-2-ynylcyclohexane-1-carboxamide
CID 47150754
1-[1-(3-chlorophenyl)cyclobutyl]propane-1,2-dione
CID 122222520
methyl 1-[2-[1-(3-chlorophenyl)cyclohexanecarbonyl]oxyacetyl]piperidine-4-carboxylate
CID 55546439
[2-(3-chlorophenyl)-2-oxoethyl] 1-phenylcyclobutane-1-carboxylate
CID 155946371
(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 5-chloro-2-nitrobenzoate
CID 18165757

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 1-(3-chlorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 1-(3-chlorophenyl)cyclopentane-1-carboxylate (CID 71895585) is (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 1-(3-chlorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 1-(3-chlorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 1-(3-chlorophenyl)cyclopentane-1-carboxylate is CCc1nnc(COC(=O)C2(c3cccc(Cl)c3)CCCC2)o1.
What is the InChIKey of (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 1-(3-chlorophenyl)cyclopentane-1-carboxylate?
The InChIKey is PBGUCAGKDRICHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c1-2-14-19-20-15(23-14)11-22-16(21)17(8-3-4-9-17)12-6-5-7-13(18)10-12/h5-7,10H,2-4,8-9,11H2,1H3.
What are the key properties of (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 1-(3-chlorophenyl)cyclopentane-1-carboxylate?
(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 1-(3-chlorophenyl)cyclopentane-1-carboxylate has a molecular weight of 334.80 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 1-(3-chlorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 71895585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).