2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylazepane-1-carboxamide

C14H22N4O2 — CID 110196417

IUPAC2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylazepane-1-carboxamide
SMILESCCNC(=O)N1CCCCCC1c1nc(C2CC2)no1
InChIInChI=1S/C14H22N4O2/c1-2-15-14(19)18-9-5-3-4-6-11(18)13-16-12(17-20-13)10-7-8-10/h10-11H,2-9H2,1H3,(H,15,19)
InChIKeyJFNAZUUQVQFBMA-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.59
Rot. Bonds3

About 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylazepane-1-carboxamide

2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylazepane-1-carboxamide (PubChem CID 110196417) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylazepane-1-carboxamide.

Molecular Properties

Compound Name2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylazepane-1-carboxamide
PubChem CID110196417
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylazepane-1-carboxamide
SMILESCCNC(=O)N1CCCCCC1c1nc(C2CC2)no1
InChIInChI=1S/C14H22N4O2/c1-2-15-14(19)18-9-5-3-4-6-11(18)13-16-12(17-20-13)10-7-8-10/h10-11H,2-9H2,1H3,(H,15,19)
InChIKeyJFNAZUUQVQFBMA-UHFFFAOYSA-N
XLogP2.59
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylazepane-1-carboxamide?
The IUPAC name of 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylazepane-1-carboxamide (CID 110196417) is 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylazepane-1-carboxamide.
What is the SMILES notation for 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylazepane-1-carboxamide?
The canonical SMILES for 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylazepane-1-carboxamide is CCNC(=O)N1CCCCCC1c1nc(C2CC2)no1.
What is the InChIKey of 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylazepane-1-carboxamide?
The InChIKey is JFNAZUUQVQFBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-2-15-14(19)18-9-5-3-4-6-11(18)13-16-12(17-20-13)10-7-8-10/h10-11H,2-9H2,1H3,(H,15,19).
What are the key properties of 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylazepane-1-carboxamide?
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylazepane-1-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylazepane-1-carboxamide is sourced from PubChem (CID 110196417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).