5-[3-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methoxy]phenyl]-3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole

C28H30N4O3 — CID 171344586

IUPAC5-[3-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methoxy]phenyl]-3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole
SMILESCOc1ccc(CN2CCC(COc3cccc(-c4nc(-c5ccc(C)nc5)no4)c3)CC2)cc1
InChIInChI=1S/C28H30N4O3/c1-20-6-9-24(17-29-20)27-30-28(35-31-27)23-4-3-5-26(16-23)34-19-22-12-14-32(15-13-22)18-21-7-10-25(33-2)11-8-21/h3-11,16-17,22H,12-15,18-19H2,1-2H3
InChIKeyGPEQQKCVTCOVJC-UHFFFAOYSA-N
MW470.57 g/mol
LogP5.41
Rot. Bonds8

About 5-[3-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methoxy]phenyl]-3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole

5-[3-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methoxy]phenyl]-3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole (PubChem CID 171344586) has the molecular formula C28H30N4O3 and a molecular weight of 470.57 g/mol. Its IUPAC name is 5-[3-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methoxy]phenyl]-3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methoxy]phenyl]-3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole
PubChem CID171344586
Molecular FormulaC28H30N4O3
Molecular Weight470.57 g/mol
Exact Mass470.23
IUPAC Name5-[3-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methoxy]phenyl]-3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole
SMILESCOc1ccc(CN2CCC(COc3cccc(-c4nc(-c5ccc(C)nc5)no4)c3)CC2)cc1
InChIInChI=1S/C28H30N4O3/c1-20-6-9-24(17-29-20)27-30-28(35-31-27)23-4-3-5-26(16-23)34-19-22-12-14-32(15-13-22)18-21-7-10-25(33-2)11-8-21/h3-11,16-17,22H,12-15,18-19H2,1-2H3
InChIKeyGPEQQKCVTCOVJC-UHFFFAOYSA-N
XLogP5.41
TPSA73.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.57
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methoxy]phenyl]-3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[3-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methoxy]phenyl]-3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole (CID 171344586) is 5-[3-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methoxy]phenyl]-3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methoxy]phenyl]-3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methoxy]phenyl]-3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole is COc1ccc(CN2CCC(COc3cccc(-c4nc(-c5ccc(C)nc5)no4)c3)CC2)cc1.
What is the InChIKey of 5-[3-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methoxy]phenyl]-3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is GPEQQKCVTCOVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O3/c1-20-6-9-24(17-29-20)27-30-28(35-31-27)23-4-3-5-26(16-23)34-19-22-12-14-32(15-13-22)18-21-7-10-25(33-2)11-8-21/h3-11,16-17,22H,12-15,18-19H2,1-2H3.
What are the key properties of 5-[3-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methoxy]phenyl]-3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole?
5-[3-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methoxy]phenyl]-3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 470.57 g/mol, XLogP of 5.41, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methoxy]phenyl]-3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 171344586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).