5-(azepan-2-yl)-3-(3-ethylcyclopentyl)-1,2,4-oxadiazole

C15H25N3O — CID 65413684

IUPAC5-(azepan-2-yl)-3-(3-ethylcyclopentyl)-1,2,4-oxadiazole
SMILESCCC1CCC(c2noc(C3CCCCCN3)n2)C1
InChIInChI=1S/C15H25N3O/c1-2-11-7-8-12(10-11)14-17-15(19-18-14)13-6-4-3-5-9-16-13/h11-13,16H,2-10H2,1H3
InChIKeyJHBOFCQQVCKMQR-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.57
Rot. Bonds3

About 5-(azepan-2-yl)-3-(3-ethylcyclopentyl)-1,2,4-oxadiazole

5-(azepan-2-yl)-3-(3-ethylcyclopentyl)-1,2,4-oxadiazole (PubChem CID 65413684) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 5-(azepan-2-yl)-3-(3-ethylcyclopentyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(azepan-2-yl)-3-(3-ethylcyclopentyl)-1,2,4-oxadiazole
PubChem CID65413684
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name5-(azepan-2-yl)-3-(3-ethylcyclopentyl)-1,2,4-oxadiazole
SMILESCCC1CCC(c2noc(C3CCCCCN3)n2)C1
InChIInChI=1S/C15H25N3O/c1-2-11-7-8-12(10-11)14-17-15(19-18-14)13-6-4-3-5-9-16-13/h11-13,16H,2-10H2,1H3
InChIKeyJHBOFCQQVCKMQR-UHFFFAOYSA-N
XLogP3.57
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclohexyl-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114429862
3-cyclooctyl-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114429965
3-cyclobutyl-5-piperidin-2-yl-1,2,4-oxadiazole
CID 64982229
5-(azepan-2-yl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazole
CID 65424042
3-cyclobutyl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole;hydrochloride
CID 69188046
3-cyclopentyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 93357418
3-(2-methylcyclopropyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915001
3-(3-ethylcyclohexyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107070952
3-(3-methylcyclohexyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900508
5-(azocan-2-yl)-3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazole
CID 114239832
5-(azetidin-3-yl)-3-(3-ethylcyclohexyl)-1,2,4-oxadiazole
CID 79316096
3-(2-methylcyclopropyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900655

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-2-yl)-3-(3-ethylcyclopentyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(azepan-2-yl)-3-(3-ethylcyclopentyl)-1,2,4-oxadiazole (CID 65413684) is 5-(azepan-2-yl)-3-(3-ethylcyclopentyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(azepan-2-yl)-3-(3-ethylcyclopentyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(azepan-2-yl)-3-(3-ethylcyclopentyl)-1,2,4-oxadiazole is CCC1CCC(c2noc(C3CCCCCN3)n2)C1.
What is the InChIKey of 5-(azepan-2-yl)-3-(3-ethylcyclopentyl)-1,2,4-oxadiazole?
The InChIKey is JHBOFCQQVCKMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-2-11-7-8-12(10-11)14-17-15(19-18-14)13-6-4-3-5-9-16-13/h11-13,16H,2-10H2,1H3.
What are the key properties of 5-(azepan-2-yl)-3-(3-ethylcyclopentyl)-1,2,4-oxadiazole?
5-(azepan-2-yl)-3-(3-ethylcyclopentyl)-1,2,4-oxadiazole has a molecular weight of 263.38 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-2-yl)-3-(3-ethylcyclopentyl)-1,2,4-oxadiazole is sourced from PubChem (CID 65413684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).