5-[6-(3-ethyl-4-methylpiperazin-1-yl)-3-pyridinyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole

C21H25N5O2 — CID 45187011

IUPAC5-[6-(3-ethyl-4-methylpiperazin-1-yl)-3-pyridinyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCCC1CN(c2ccc(-c3nc(-c4ccc(OC)cc4)no3)cn2)CCN1C
InChIInChI=1S/C21H25N5O2/c1-4-17-14-26(12-11-25(17)2)19-10-7-16(13-22-19)21-23-20(24-28-21)15-5-8-18(27-3)9-6-15/h5-10,13,17H,4,11-12,14H2,1-3H3
InChIKeyBOLPFFRCBVHDRG-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.34
Rot. Bonds5

About 5-[6-(3-ethyl-4-methylpiperazin-1-yl)-3-pyridinyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole

5-[6-(3-ethyl-4-methylpiperazin-1-yl)-3-pyridinyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 45187011) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 5-[6-(3-ethyl-4-methylpiperazin-1-yl)-3-pyridinyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[6-(3-ethyl-4-methylpiperazin-1-yl)-3-pyridinyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID45187011
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name5-[6-(3-ethyl-4-methylpiperazin-1-yl)-3-pyridinyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCCC1CN(c2ccc(-c3nc(-c4ccc(OC)cc4)no3)cn2)CCN1C
InChIInChI=1S/C21H25N5O2/c1-4-17-14-26(12-11-25(17)2)19-10-7-16(13-22-19)21-23-20(24-28-21)15-5-8-18(27-3)9-6-15/h5-10,13,17H,4,11-12,14H2,1-3H3
InChIKeyBOLPFFRCBVHDRG-UHFFFAOYSA-N
XLogP3.34
TPSA67.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(3-ethyl-4-methylpiperazin-1-yl)-3-pyridinyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[6-(3-ethyl-4-methylpiperazin-1-yl)-3-pyridinyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole (CID 45187011) is 5-[6-(3-ethyl-4-methylpiperazin-1-yl)-3-pyridinyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[6-(3-ethyl-4-methylpiperazin-1-yl)-3-pyridinyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[6-(3-ethyl-4-methylpiperazin-1-yl)-3-pyridinyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole is CCC1CN(c2ccc(-c3nc(-c4ccc(OC)cc4)no3)cn2)CCN1C.
What is the InChIKey of 5-[6-(3-ethyl-4-methylpiperazin-1-yl)-3-pyridinyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is BOLPFFRCBVHDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-4-17-14-26(12-11-25(17)2)19-10-7-16(13-22-19)21-23-20(24-28-21)15-5-8-18(27-3)9-6-15/h5-10,13,17H,4,11-12,14H2,1-3H3.
What are the key properties of 5-[6-(3-ethyl-4-methylpiperazin-1-yl)-3-pyridinyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
5-[6-(3-ethyl-4-methylpiperazin-1-yl)-3-pyridinyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 379.46 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(3-ethyl-4-methylpiperazin-1-yl)-3-pyridinyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 45187011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).