2-(4-chlorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide

C18H22ClN3O2 — CID 71896477

IUPAC2-(4-chlorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide
SMILESCc1nc(C2(NC(=O)Cc3ccc(Cl)cc3)CCCCCC2)no1
InChIInChI=1S/C18H22ClN3O2/c1-13-20-17(22-24-13)18(10-4-2-3-5-11-18)21-16(23)12-14-6-8-15(19)9-7-14/h6-9H,2-5,10-12H2,1H3,(H,21,23)
InChIKeyHFZIEBGMOYGUAK-UHFFFAOYSA-N
MW347.85 g/mol
LogP3.94
Rot. Bonds4

About 2-(4-chlorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide

2-(4-chlorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide (PubChem CID 71896477) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide
PubChem CID71896477
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC Name2-(4-chlorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide
SMILESCc1nc(C2(NC(=O)Cc3ccc(Cl)cc3)CCCCCC2)no1
InChIInChI=1S/C18H22ClN3O2/c1-13-20-17(22-24-13)18(10-4-2-3-5-11-18)21-16(23)12-14-6-8-15(19)9-7-14/h6-9H,2-5,10-12H2,1H3,(H,21,23)
InChIKeyHFZIEBGMOYGUAK-UHFFFAOYSA-N
XLogP3.94
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]propanamide
CID 55528188
tert-butyl N-[4-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-2-oxoethyl]phenyl]carbamate
CID 78847777
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-[(2-phenylacetyl)amino]propanamide
CID 55538479
3-(2,3-dichlorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide
CID 38937786
2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]acetamide
CID 166403701
3-(1,3-benzodioxol-5-yl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide
CID 31164348
2-(methylamino)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide
CID 119701756
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-4-(methylsulfanylmethyl)benzamide
CID 55622314
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-2-(3-methyl-2-oxo-1-pyridinyl)acetamide
CID 71968872
2-chloro-N-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 55622366
2-ethoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide
CID 52571685
2-(3,4-difluorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide
CID 55528029

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide (CID 71896477) is 2-(4-chlorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide is Cc1nc(C2(NC(=O)Cc3ccc(Cl)cc3)CCCCCC2)no1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide?
The InChIKey is HFZIEBGMOYGUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c1-13-20-17(22-24-13)18(10-4-2-3-5-11-18)21-16(23)12-14-6-8-15(19)9-7-14/h6-9H,2-5,10-12H2,1H3,(H,21,23).
What are the key properties of 2-(4-chlorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide?
2-(4-chlorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide has a molecular weight of 347.85 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide is sourced from PubChem (CID 71896477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).