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

C17H21N3O2 — CID 4175475

IUPACN-cycloheptyl-5-(4-methylphenyl)-1,2,4-oxadiazole-3-carboxamide
SMILESCc1ccc(-c2nc(C(=O)NC3CCCCCC3)no2)cc1
InChIInChI=1S/C17H21N3O2/c1-12-8-10-13(11-9-12)17-19-15(20-22-17)16(21)18-14-6-4-2-3-5-7-14/h8-11,14H,2-7H2,1H3,(H,18,21)
InChIKeyLSQYLIFWMGBRDD-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.50
Rot. Bonds3

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

N-cycloheptyl-5-(4-methylphenyl)-1,2,4-oxadiazole-3-carboxamide (PubChem CID 4175475) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-cycloheptyl-5-(4-methylphenyl)-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-5-(4-methylphenyl)-1,2,4-oxadiazole-3-carboxamide
PubChem CID4175475
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-cycloheptyl-5-(4-methylphenyl)-1,2,4-oxadiazole-3-carboxamide
SMILESCc1ccc(-c2nc(C(=O)NC3CCCCCC3)no2)cc1
InChIInChI=1S/C17H21N3O2/c1-12-8-10-13(11-9-12)17-19-15(20-22-17)16(21)18-14-6-4-2-3-5-7-14/h8-11,14H,2-7H2,1H3,(H,18,21)
InChIKeyLSQYLIFWMGBRDD-UHFFFAOYSA-N
XLogP3.50
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclooctyl-4-methylbenzamide
CID 3995245
N-cyclopentyl-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
CID 50814408
(3S)-N-cyclopentyl-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
CID 92733295
N-cyclopentyl-4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 46385501
N-cyclobutyl-4-methylbenzamide
CID 23530676
N-cycloheptyl-3-(3-methylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 6471248
N-cyclohexyl-5-(4-methylphenyl)pyridine-3-carboxamide
CID 46032904
N-methyl-5-[4-(methylamino)phenyl]-1,2,4-oxadiazole-3-carboxamide
CID 102790656
N-(cyclohexylcarbamothioyl)-4-methylbenzamide
CID 923682
N-cycloheptyl-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488509
N-cyclopentyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 20973288
N-(4-methylcyclohexyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 46427023

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-5-(4-methylphenyl)-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-cycloheptyl-5-(4-methylphenyl)-1,2,4-oxadiazole-3-carboxamide (CID 4175475) is N-cycloheptyl-5-(4-methylphenyl)-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-5-(4-methylphenyl)-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-cycloheptyl-5-(4-methylphenyl)-1,2,4-oxadiazole-3-carboxamide is Cc1ccc(-c2nc(C(=O)NC3CCCCCC3)no2)cc1.
What is the InChIKey of N-cycloheptyl-5-(4-methylphenyl)-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is LSQYLIFWMGBRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12-8-10-13(11-9-12)17-19-15(20-22-17)16(21)18-14-6-4-2-3-5-7-14/h8-11,14H,2-7H2,1H3,(H,18,21).
What are the key properties of N-cycloheptyl-5-(4-methylphenyl)-1,2,4-oxadiazole-3-carboxamide?
N-cycloheptyl-5-(4-methylphenyl)-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-5-(4-methylphenyl)-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 4175475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).