2-[5-[2-(2-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-N-cyclopentylacetamide

C18H20ClN3O2 — CID 71876197

IUPAC2-[5-[2-(2-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-N-cyclopentylacetamide
SMILESO=C(Cc1noc(C2CC2c2ccccc2Cl)n1)NC1CCCC1
InChIInChI=1S/C18H20ClN3O2/c19-15-8-4-3-7-12(15)13-9-14(13)18-21-16(22-24-18)10-17(23)20-11-5-1-2-6-11/h3-4,7-8,11,13-14H,1-2,5-6,9-10H2,(H,20,23)
InChIKeyREUOAJHDONTYSK-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.60
Rot. Bonds5

About 2-[5-[2-(2-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-N-cyclopentylacetamide

2-[5-[2-(2-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-N-cyclopentylacetamide (PubChem CID 71876197) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 2-[5-[2-(2-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[5-[2-(2-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-N-cyclopentylacetamide
PubChem CID71876197
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name2-[5-[2-(2-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-N-cyclopentylacetamide
SMILESO=C(Cc1noc(C2CC2c2ccccc2Cl)n1)NC1CCCC1
InChIInChI=1S/C18H20ClN3O2/c19-15-8-4-3-7-12(15)13-9-14(13)18-21-16(22-24-18)10-17(23)20-11-5-1-2-6-11/h3-4,7-8,11,13-14H,1-2,5-6,9-10H2,(H,20,23)
InChIKeyREUOAJHDONTYSK-UHFFFAOYSA-N
XLogP3.60
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(2-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-N-cyclopentylacetamide?
The IUPAC name of 2-[5-[2-(2-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-N-cyclopentylacetamide (CID 71876197) is 2-[5-[2-(2-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[5-[2-(2-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-N-cyclopentylacetamide?
The canonical SMILES for 2-[5-[2-(2-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-N-cyclopentylacetamide is O=C(Cc1noc(C2CC2c2ccccc2Cl)n1)NC1CCCC1.
What is the InChIKey of 2-[5-[2-(2-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-N-cyclopentylacetamide?
The InChIKey is REUOAJHDONTYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c19-15-8-4-3-7-12(15)13-9-14(13)18-21-16(22-24-18)10-17(23)20-11-5-1-2-6-11/h3-4,7-8,11,13-14H,1-2,5-6,9-10H2,(H,20,23).
What are the key properties of 2-[5-[2-(2-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-N-cyclopentylacetamide?
2-[5-[2-(2-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-N-cyclopentylacetamide has a molecular weight of 345.83 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(2-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-N-cyclopentylacetamide is sourced from PubChem (CID 71876197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).