2-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)-N-methylacetamide

C12H19N3O2 — CID 71970446

IUPAC2-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)-N-methylacetamide
SMILESCNC(=O)Cc1noc(C2CCCCCC2)n1
InChIInChI=1S/C12H19N3O2/c1-13-11(16)8-10-14-12(17-15-10)9-6-4-2-3-5-7-9/h9H,2-8H2,1H3,(H,13,16)
InChIKeyFVAOJPBOECLOIE-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.80
Rot. Bonds3

About 2-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)-N-methylacetamide

2-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)-N-methylacetamide (PubChem CID 71970446) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)-N-methylacetamide
PubChem CID71970446
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)-N-methylacetamide
SMILESCNC(=O)Cc1noc(C2CCCCCC2)n1
InChIInChI=1S/C12H19N3O2/c1-13-11(16)8-10-14-12(17-15-10)9-6-4-2-3-5-7-9/h9H,2-8H2,1H3,(H,13,16)
InChIKeyFVAOJPBOECLOIE-UHFFFAOYSA-N
XLogP1.80
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 62342162
3-(chloromethyl)-5-cyclohexyl-1,2,4-oxadiazole;N-methylformamide
CID 145398456
N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2-(2-methylphenyl)acetamide
CID 50754933
1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-one
CID 115077121
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]propan-2-amine
CID 62343969
2-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylamino]-2-methylpropane-1,3-diol
CID 75436511
2-[5-[2-(furan-2-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide
CID 71970461
2-cyclohexyl-N-[4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]acetamide
CID 120868220
(2S)-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methyloxolane-2-carboxamide
CID 126446991
1-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2,6-dimethylpiperidine-4-carboxylic acid
CID 136555542
5-(azepan-4-yl)-3-ethyl-1,2,4-oxadiazole
CID 102548111
(2S)-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-ethoxypropanamide
CID 126436754

Frequently Asked Questions

What is the IUPAC name of 2-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)-N-methylacetamide?
The IUPAC name of 2-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)-N-methylacetamide (CID 71970446) is 2-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)-N-methylacetamide.
What is the SMILES notation for 2-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)-N-methylacetamide?
The canonical SMILES for 2-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)-N-methylacetamide is CNC(=O)Cc1noc(C2CCCCCC2)n1.
What is the InChIKey of 2-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)-N-methylacetamide?
The InChIKey is FVAOJPBOECLOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-13-11(16)8-10-14-12(17-15-10)9-6-4-2-3-5-7-9/h9H,2-8H2,1H3,(H,13,16).
What are the key properties of 2-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)-N-methylacetamide?
2-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)-N-methylacetamide has a molecular weight of 237.30 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)-N-methylacetamide is sourced from PubChem (CID 71970446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).