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

C16H19ClN4O2 — CID 165176971

IUPACN-[1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]azepan-4-yl]acetamide
SMILESCC(=O)NC1CCCN(c2nnc(-c3ccc(Cl)cc3)o2)CC1
InChIInChI=1S/C16H19ClN4O2/c1-11(22)18-14-3-2-9-21(10-8-14)16-20-19-15(23-16)12-4-6-13(17)7-5-12/h4-7,14H,2-3,8-10H2,1H3,(H,18,22)
InChIKeyKEIAQPFASYTSSX-UHFFFAOYSA-N
MW334.81 g/mol
LogP2.88
Rot. Bonds3

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

N-[1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]azepan-4-yl]acetamide (PubChem CID 165176971) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is N-[1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]azepan-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]azepan-4-yl]acetamide
PubChem CID165176971
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC NameN-[1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]azepan-4-yl]acetamide
SMILESCC(=O)NC1CCCN(c2nnc(-c3ccc(Cl)cc3)o2)CC1
InChIInChI=1S/C16H19ClN4O2/c1-11(22)18-14-3-2-9-21(10-8-14)16-20-19-15(23-16)12-4-6-13(17)7-5-12/h4-7,14H,2-3,8-10H2,1H3,(H,18,22)
InChIKeyKEIAQPFASYTSSX-UHFFFAOYSA-N
XLogP2.88
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 53166922
1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-4-amine
CID 139512553
5-(4-chlorophenyl)-N-cycloheptyl-1,3,4-oxadiazole-2-carboxamide
CID 110391563
[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 53166939
2-(4-chlorophenyl)-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazole
CID 10040739
2-[(6-chloro-5-fluoro-3-pyridinyl)oxy]-2-[1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]acetamide
CID 166002024
N-[4-[[(3R)-1-(2-chlorophenyl)piperidin-3-yl]amino]cyclohexyl]acetamide
CID 99715413
N-[(3R)-1-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]piperidin-3-yl]acetamide
CID 95975361
azepan-1-yl-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone
CID 53166848
N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]acetamide
CID 49431104
N-[1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]benzamide
CID 16580752
N-[1-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
CID 139557346

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]azepan-4-yl]acetamide?
The IUPAC name of N-[1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]azepan-4-yl]acetamide (CID 165176971) is N-[1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]azepan-4-yl]acetamide.
What is the SMILES notation for N-[1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]azepan-4-yl]acetamide?
The canonical SMILES for N-[1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]azepan-4-yl]acetamide is CC(=O)NC1CCCN(c2nnc(-c3ccc(Cl)cc3)o2)CC1.
What is the InChIKey of N-[1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]azepan-4-yl]acetamide?
The InChIKey is KEIAQPFASYTSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c1-11(22)18-14-3-2-9-21(10-8-14)16-20-19-15(23-16)12-4-6-13(17)7-5-12/h4-7,14H,2-3,8-10H2,1H3,(H,18,22).
What are the key properties of N-[1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]azepan-4-yl]acetamide?
N-[1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]azepan-4-yl]acetamide has a molecular weight of 334.81 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]azepan-4-yl]acetamide is sourced from PubChem (CID 165176971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).