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

C17H21N3O2 — CID 6471248

IUPACN-cycloheptyl-3-(3-methylphenyl)-1,2,4-oxadiazole-5-carboxamide
SMILESCc1cccc(-c2noc(C(=O)NC3CCCCCC3)n2)c1
InChIInChI=1S/C17H21N3O2/c1-12-7-6-8-13(11-12)15-19-17(22-20-15)16(21)18-14-9-4-2-3-5-10-14/h6-8,11,14H,2-5,9-10H2,1H3,(H,18,21)
InChIKeyRFLLXJAZXNLRRJ-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.50
Rot. Bonds3

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

N-cycloheptyl-3-(3-methylphenyl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 6471248) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-cycloheptyl-3-(3-methylphenyl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-3-(3-methylphenyl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID6471248
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-cycloheptyl-3-(3-methylphenyl)-1,2,4-oxadiazole-5-carboxamide
SMILESCc1cccc(-c2noc(C(=O)NC3CCCCCC3)n2)c1
InChIInChI=1S/C17H21N3O2/c1-12-7-6-8-13(11-12)15-19-17(22-20-15)16(21)18-14-9-4-2-3-5-10-14/h6-8,11,14H,2-5,9-10H2,1H3,(H,18,21)
InChIKeyRFLLXJAZXNLRRJ-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-cyclohexyl-3-(3-methylphenyl)-1,2,4-oxadiazol-5-amine
CID 119027837
N-cycloheptyl-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide
CID 42570665
3-[2-(azepan-1-yl)-4-pyridinyl]-N-cyclohexyl-1,2,4-oxadiazole-5-carboxamide
CID 53175294
N-cycloheptyl-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide
CID 53175164
(2S)-N-cyclopentyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95116675
N-cyclooctyl-3-methylbenzamide
CID 966011
N-benzyl-3-(3-methylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 6471451
N-cyclopentyl-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide
CID 50827804
[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] N-cyclohexylcarbamate
CID 69174143
N-cyclopentyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 20973288
N-cyclopentyl-4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 46385501
N-cyclopentyl-3-(3-methyl-1-phenylpyrazol-4-yl)-1,2,4-oxadiazole-5-carboxamide
CID 20931695

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-(3-methylphenyl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-cycloheptyl-3-(3-methylphenyl)-1,2,4-oxadiazole-5-carboxamide (CID 6471248) is N-cycloheptyl-3-(3-methylphenyl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-cycloheptyl-3-(3-methylphenyl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-cycloheptyl-3-(3-methylphenyl)-1,2,4-oxadiazole-5-carboxamide is Cc1cccc(-c2noc(C(=O)NC3CCCCCC3)n2)c1.
What is the InChIKey of N-cycloheptyl-3-(3-methylphenyl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is RFLLXJAZXNLRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12-7-6-8-13(11-12)15-19-17(22-20-15)16(21)18-14-9-4-2-3-5-10-14/h6-8,11,14H,2-5,9-10H2,1H3,(H,18,21).
What are the key properties of N-cycloheptyl-3-(3-methylphenyl)-1,2,4-oxadiazole-5-carboxamide?
N-cycloheptyl-3-(3-methylphenyl)-1,2,4-oxadiazole-5-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-3-(3-methylphenyl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 6471248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).