N-cyclopentyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)azepane-1-carboxamide

C15H24N4O2 — CID 110196407

IUPACN-cyclopentyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)azepane-1-carboxamide
SMILESCc1noc(C2CCCCCN2C(=O)NC2CCCC2)n1
InChIInChI=1S/C15H24N4O2/c1-11-16-14(21-18-11)13-9-3-2-6-10-19(13)15(20)17-12-7-4-5-8-12/h12-13H,2-10H2,1H3,(H,17,20)
InChIKeyCDJGGXOIDPUOOK-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.95
Rot. Bonds2

About N-cyclopentyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)azepane-1-carboxamide

N-cyclopentyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)azepane-1-carboxamide (PubChem CID 110196407) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-cyclopentyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)azepane-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)azepane-1-carboxamide
PubChem CID110196407
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-cyclopentyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)azepane-1-carboxamide
SMILESCc1noc(C2CCCCCN2C(=O)NC2CCCC2)n1
InChIInChI=1S/C15H24N4O2/c1-11-16-14(21-18-11)13-9-3-2-6-10-19(13)15(20)17-12-7-4-5-8-12/h12-13H,2-10H2,1H3,(H,17,20)
InChIKeyCDJGGXOIDPUOOK-UHFFFAOYSA-N
XLogP2.95
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)azepane-1-carboxamide?
The IUPAC name of N-cyclopentyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)azepane-1-carboxamide (CID 110196407) is N-cyclopentyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)azepane-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)azepane-1-carboxamide?
The canonical SMILES for N-cyclopentyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)azepane-1-carboxamide is Cc1noc(C2CCCCCN2C(=O)NC2CCCC2)n1.
What is the InChIKey of N-cyclopentyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)azepane-1-carboxamide?
The InChIKey is CDJGGXOIDPUOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-11-16-14(21-18-11)13-9-3-2-6-10-19(13)15(20)17-12-7-4-5-8-12/h12-13H,2-10H2,1H3,(H,17,20).
What are the key properties of N-cyclopentyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)azepane-1-carboxamide?
N-cyclopentyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)azepane-1-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)azepane-1-carboxamide is sourced from PubChem (CID 110196407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).