5-[1-[3-(oxan-4-yl)azepan-1-yl]ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole

C20H28N4O2 — CID 167851588

IUPAC5-[1-[3-(oxan-4-yl)azepan-1-yl]ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESCC(c1nc(-c2cccnc2)no1)N1CCCCC(C2CCOCC2)C1
InChIInChI=1S/C20H28N4O2/c1-15(20-22-19(23-26-20)17-6-4-9-21-13-17)24-10-3-2-5-18(14-24)16-7-11-25-12-8-16/h4,6,9,13,15-16,18H,2-3,5,7-8,10-12,14H2,1H3
InChIKeyFNDCGGYKNYWIJO-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.72
Rot. Bonds4

About 5-[1-[3-(oxan-4-yl)azepan-1-yl]ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole

5-[1-[3-(oxan-4-yl)azepan-1-yl]ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 167851588) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 5-[1-[3-(oxan-4-yl)azepan-1-yl]ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[3-(oxan-4-yl)azepan-1-yl]ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID167851588
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name5-[1-[3-(oxan-4-yl)azepan-1-yl]ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESCC(c1nc(-c2cccnc2)no1)N1CCCCC(C2CCOCC2)C1
InChIInChI=1S/C20H28N4O2/c1-15(20-22-19(23-26-20)17-6-4-9-21-13-17)24-10-3-2-5-18(14-24)16-7-11-25-12-8-16/h4,6,9,13,15-16,18H,2-3,5,7-8,10-12,14H2,1H3
InChIKeyFNDCGGYKNYWIJO-UHFFFAOYSA-N
XLogP3.72
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[1-[3-(oxan-4-yl)azepan-1-yl]ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[(1S)-1-[(3R)-3-ethylsulfanylazepan-1-yl]ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 95625750
(3S,4R)-4-phenyl-1-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-amine
CID 120761263
5-[1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 78835447
N-phenyl-1-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide
CID 86913250
3-phenyl-5-[1-(3-pyrazol-1-ylazetidin-1-yl)ethyl]-1,2,4-oxadiazole
CID 56781222
1-adamantyl-[4-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 78833873
N-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 62627315
2-(1-pyridin-3-ylethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79673428
1-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907313
(3S)-4-cyclopentyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine
CID 100659561
2,6-dimethyl-4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine
CID 47012753
5-[(1R)-1-(4-methoxypiperidin-1-yl)ethyl]-3-phenyl-1,2,4-oxadiazole
CID 94513017

Frequently Asked Questions

What is the IUPAC name of 5-[1-[3-(oxan-4-yl)azepan-1-yl]ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[3-(oxan-4-yl)azepan-1-yl]ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole (CID 167851588) is 5-[1-[3-(oxan-4-yl)azepan-1-yl]ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[3-(oxan-4-yl)azepan-1-yl]ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[3-(oxan-4-yl)azepan-1-yl]ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole is CC(c1nc(-c2cccnc2)no1)N1CCCCC(C2CCOCC2)C1.
What is the InChIKey of 5-[1-[3-(oxan-4-yl)azepan-1-yl]ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is FNDCGGYKNYWIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-15(20-22-19(23-26-20)17-6-4-9-21-13-17)24-10-3-2-5-18(14-24)16-7-11-25-12-8-16/h4,6,9,13,15-16,18H,2-3,5,7-8,10-12,14H2,1H3.
What are the key properties of 5-[1-[3-(oxan-4-yl)azepan-1-yl]ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
5-[1-[3-(oxan-4-yl)azepan-1-yl]ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 356.47 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[3-(oxan-4-yl)azepan-1-yl]ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 167851588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).