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

C14H24N4O2 — CID 110196405

IUPAC2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-methylpropyl)azepane-1-carboxamide
SMILESCc1noc(C2CCCCCN2C(=O)NCC(C)C)n1
InChIInChI=1S/C14H24N4O2/c1-10(2)9-15-14(19)18-8-6-4-5-7-12(18)13-16-11(3)17-20-13/h10,12H,4-9H2,1-3H3,(H,15,19)
InChIKeyKOXNBQCYJOBCKI-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.66
Rot. Bonds3

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

2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-methylpropyl)azepane-1-carboxamide (PubChem CID 110196405) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-methylpropyl)azepane-1-carboxamide.

Molecular Properties

Compound Name2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-methylpropyl)azepane-1-carboxamide
PubChem CID110196405
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-methylpropyl)azepane-1-carboxamide
SMILESCc1noc(C2CCCCCN2C(=O)NCC(C)C)n1
InChIInChI=1S/C14H24N4O2/c1-10(2)9-15-14(19)18-8-6-4-5-7-12(18)13-16-11(3)17-20-13/h10,12H,4-9H2,1-3H3,(H,15,19)
InChIKeyKOXNBQCYJOBCKI-UHFFFAOYSA-N
XLogP2.66
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-methylpropyl)azepane-1-carboxamide?
The IUPAC name of 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-methylpropyl)azepane-1-carboxamide (CID 110196405) is 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-methylpropyl)azepane-1-carboxamide.
What is the SMILES notation for 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-methylpropyl)azepane-1-carboxamide?
The canonical SMILES for 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-methylpropyl)azepane-1-carboxamide is Cc1noc(C2CCCCCN2C(=O)NCC(C)C)n1.
What is the InChIKey of 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-methylpropyl)azepane-1-carboxamide?
The InChIKey is KOXNBQCYJOBCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-10(2)9-15-14(19)18-8-6-4-5-7-12(18)13-16-11(3)17-20-13/h10,12H,4-9H2,1-3H3,(H,15,19).
What are the key properties of 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-methylpropyl)azepane-1-carboxamide?
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-methylpropyl)azepane-1-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-methylpropyl)azepane-1-carboxamide is sourced from PubChem (CID 110196405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).