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

C18H20ClN3O2 — CID 95899316

IUPAC2-[5-[(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-N-cyclopentylacetamide
SMILESO=C(Cc1noc([C@@H]2C[C@H]2c2ccccc2Cl)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)/t13-,14+/m0/s1
InChIKeyREUOAJHDONTYSK-UONOGXRCSA-N
MW345.83 g/mol
LogP3.60
Rot. Bonds5

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

2-[5-[(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-N-cyclopentylacetamide (PubChem CID 95899316) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 2-[5-[(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[5-[(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-N-cyclopentylacetamide
PubChem CID95899316
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name2-[5-[(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-N-cyclopentylacetamide
SMILESO=C(Cc1noc([C@@H]2C[C@H]2c2ccccc2Cl)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)/t13-,14+/m0/s1
InChIKeyREUOAJHDONTYSK-UONOGXRCSA-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

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

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Related Compounds

2-[5-[2-(2-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-N-cyclopentylacetamide
CID 71876197
N-cyclohexyl-2-[5-[(2S)-morpholin-2-yl]-1,2,4-oxadiazol-3-yl]acetamide
CID 120835213
N-phenyl-2-[5-[(1R,2R)-2-(pyrrolidine-1-carbonyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]acetamide
CID 100659849
2-[3-(2-anilino-2-oxoethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylic acid
CID 174238017
N'-(2-chlorophenyl)-N-cyclopentylpropanediamide
CID 108942228
2-(2-chlorophenyl)sulfanyl-N-cyclopentylacetamide
CID 60624624
N-cyclohexyl-2-(3,4-dichlorophenyl)acetamide
CID 2557208
N-cyclopentyl-2-phenylacetamide;hydrochloride
CID 69292876
N-cyclohexyl-2-[5-[2-(cyclopropylmethyl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]acetamide
CID 100643670
N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-N'-cyclopentylbutanediamide
CID 46999941
2-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)-N-methylacetamide
CID 71970446
N-benzyl-2-[5-[(1R,2R)-2-methyl-4-oxocyclohexyl]-1,2,4-oxadiazol-3-yl]acetamide
CID 99714817

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-N-cyclopentylacetamide?
The IUPAC name of 2-[5-[(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-N-cyclopentylacetamide (CID 95899316) is 2-[5-[(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[5-[(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-N-cyclopentylacetamide?
The canonical SMILES for 2-[5-[(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-N-cyclopentylacetamide is O=C(Cc1noc([C@@H]2C[C@H]2c2ccccc2Cl)n1)NC1CCCC1.
What is the InChIKey of 2-[5-[(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-N-cyclopentylacetamide?
The InChIKey is REUOAJHDONTYSK-UONOGXRCSA-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)/t13-,14+/m0/s1.
What are the key properties of 2-[5-[(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-N-cyclopentylacetamide?
2-[5-[(1R,2R)-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-[(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-N-cyclopentylacetamide is sourced from PubChem (CID 95899316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).