5-(4-chlorophenyl)-N-cycloheptyl-1,3,4-oxadiazole-2-carboxamide

C16H18ClN3O2 — CID 110391563

IUPAC5-(4-chlorophenyl)-N-cycloheptyl-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NC1CCCCCC1)c1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C16H18ClN3O2/c17-12-9-7-11(8-10-12)15-19-20-16(22-15)14(21)18-13-5-3-1-2-4-6-13/h7-10,13H,1-6H2,(H,18,21)
InChIKeyKAXPIDGJEAZQLQ-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.84
Rot. Bonds3

About 5-(4-chlorophenyl)-N-cycloheptyl-1,3,4-oxadiazole-2-carboxamide

5-(4-chlorophenyl)-N-cycloheptyl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110391563) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-cycloheptyl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-cycloheptyl-1,3,4-oxadiazole-2-carboxamide
PubChem CID110391563
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name5-(4-chlorophenyl)-N-cycloheptyl-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NC1CCCCCC1)c1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C16H18ClN3O2/c17-12-9-7-11(8-10-12)15-19-20-16(22-15)14(21)18-13-5-3-1-2-4-6-13/h7-10,13H,1-6H2,(H,18,21)
InChIKeyKAXPIDGJEAZQLQ-UHFFFAOYSA-N
XLogP3.84
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 22431707
N-cyclopentyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 22431706
N-cyclohexyl-5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 53011956
N-[4-[(5-chloro-1-benzofuran-2-carbonyl)amino]cyclohexyl]-5-(4-chlorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 175471553
N-cyclopropyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 22431746
N-cycloheptyl-5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 46393391
N-cyclopropyl-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392032
5-(4-chlorophenyl)-N-cyclohexyl-1,2-oxazole-3-carboxamide
CID 17252724
N-cycloheptyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 26002230
azetidin-1-yl-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 123489752
1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-cyclohexyl-1-cyclopentylthiourea
CID 8677784
N-[1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]azepan-4-yl]acetamide
CID 165176971

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-cycloheptyl-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-cycloheptyl-1,3,4-oxadiazole-2-carboxamide (CID 110391563) is 5-(4-chlorophenyl)-N-cycloheptyl-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-cycloheptyl-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-cycloheptyl-1,3,4-oxadiazole-2-carboxamide is O=C(NC1CCCCCC1)c1nnc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 5-(4-chlorophenyl)-N-cycloheptyl-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is KAXPIDGJEAZQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c17-12-9-7-11(8-10-12)15-19-20-16(22-15)14(21)18-13-5-3-1-2-4-6-13/h7-10,13H,1-6H2,(H,18,21).
What are the key properties of 5-(4-chlorophenyl)-N-cycloheptyl-1,3,4-oxadiazole-2-carboxamide?
5-(4-chlorophenyl)-N-cycloheptyl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 319.79 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-cycloheptyl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110391563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).