2-[5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide

C13H21N3O2 — CID 71970433

IUPAC2-[5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide
SMILESCNC(=O)Cc1noc(CC2CCCCCC2)n1
InChIInChI=1S/C13H21N3O2/c1-14-12(17)9-11-15-13(18-16-11)8-10-6-4-2-3-5-7-10/h10H,2-9H2,1H3,(H,14,17)
InChIKeyOQBHWDCGYINESM-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.87
Rot. Bonds4

About 2-[5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide

2-[5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide (PubChem CID 71970433) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide
PubChem CID71970433
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-[5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide
SMILESCNC(=O)Cc1noc(CC2CCCCCC2)n1
InChIInChI=1S/C13H21N3O2/c1-14-12(17)9-11-15-13(18-16-11)8-10-6-4-2-3-5-7-10/h10H,2-9H2,1H3,(H,14,17)
InChIKeyOQBHWDCGYINESM-UHFFFAOYSA-N
XLogP1.87
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide?
The IUPAC name of 2-[5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide (CID 71970433) is 2-[5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide.
What is the SMILES notation for 2-[5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide?
The canonical SMILES for 2-[5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide is CNC(=O)Cc1noc(CC2CCCCCC2)n1.
What is the InChIKey of 2-[5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide?
The InChIKey is OQBHWDCGYINESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-14-12(17)9-11-15-13(18-16-11)8-10-6-4-2-3-5-7-10/h10H,2-9H2,1H3,(H,14,17).
What are the key properties of 2-[5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide?
2-[5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide has a molecular weight of 251.33 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide is sourced from PubChem (CID 71970433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).