3-(2-cyclohexyloxy-3-pyridinyl)-5-[(4-ethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole

C20H29N5O2 — CID 92591772

IUPAC3-(2-cyclohexyloxy-3-pyridinyl)-5-[(4-ethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCCN1CCN(Cc2nc(-c3cccnc3OC3CCCCC3)no2)CC1
InChIInChI=1S/C20H29N5O2/c1-2-24-11-13-25(14-12-24)15-18-22-19(23-27-18)17-9-6-10-21-20(17)26-16-7-4-3-5-8-16/h6,9-10,16H,2-5,7-8,11-15H2,1H3
InChIKeyNYZQNEXMIPJWGC-UHFFFAOYSA-N
MW371.49 g/mol
LogP2.98
Rot. Bonds6

About 3-(2-cyclohexyloxy-3-pyridinyl)-5-[(4-ethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole

3-(2-cyclohexyloxy-3-pyridinyl)-5-[(4-ethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 92591772) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 3-(2-cyclohexyloxy-3-pyridinyl)-5-[(4-ethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-cyclohexyloxy-3-pyridinyl)-5-[(4-ethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID92591772
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name3-(2-cyclohexyloxy-3-pyridinyl)-5-[(4-ethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCCN1CCN(Cc2nc(-c3cccnc3OC3CCCCC3)no2)CC1
InChIInChI=1S/C20H29N5O2/c1-2-24-11-13-25(14-12-24)15-18-22-19(23-27-18)17-9-6-10-21-20(17)26-16-7-4-3-5-8-16/h6,9-10,16H,2-5,7-8,11-15H2,1H3
InChIKeyNYZQNEXMIPJWGC-UHFFFAOYSA-N
XLogP2.98
TPSA67.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(2-cyclohexyloxy-3-pyridinyl)-5-[(4-ethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole with MolForge

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Launch Full Analysis

Related Compounds

3-(2-chloro-3-pyridinyl)-5-[[(2S)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 51593014
5-[[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 124874749
1-(4-ethylpiperazin-1-yl)-2-[1-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]ethanone
CID 86902074
4-[[1-[[3-(2-chloro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methyl]morpholine;hydrochloride
CID 171669080
(4R,4aS,8aS)-1-[[3-(2-chloro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-ol
CID 51689893
N-(4-cyclopentyloxyphenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38138567
3-(2-chlorophenyl)-5-[(4-propan-2-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 137458185
4-cyclohexyloxy-6-(4-ethylpiperazin-1-yl)pyrimidin-5-amine
CID 19138505
N-cyclohexyl-N-methyl-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38138805
5-[(4-ethylpiperazin-1-yl)methyl]-3-[6-[(3R)-3-methylpiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 95100346
2-[4-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]phenol
CID 17440213
5-[(3-cyclohexylpyrrolidin-1-yl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 45245967

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohexyloxy-3-pyridinyl)-5-[(4-ethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2-cyclohexyloxy-3-pyridinyl)-5-[(4-ethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (CID 92591772) is 3-(2-cyclohexyloxy-3-pyridinyl)-5-[(4-ethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-cyclohexyloxy-3-pyridinyl)-5-[(4-ethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-cyclohexyloxy-3-pyridinyl)-5-[(4-ethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is CCN1CCN(Cc2nc(-c3cccnc3OC3CCCCC3)no2)CC1.
What is the InChIKey of 3-(2-cyclohexyloxy-3-pyridinyl)-5-[(4-ethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is NYZQNEXMIPJWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-2-24-11-13-25(14-12-24)15-18-22-19(23-27-18)17-9-6-10-21-20(17)26-16-7-4-3-5-8-16/h6,9-10,16H,2-5,7-8,11-15H2,1H3.
What are the key properties of 3-(2-cyclohexyloxy-3-pyridinyl)-5-[(4-ethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
3-(2-cyclohexyloxy-3-pyridinyl)-5-[(4-ethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 371.49 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexyloxy-3-pyridinyl)-5-[(4-ethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 92591772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).