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

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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).