5-[[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole

C23H27N3O4 — CID 45175492

IUPAC5-[[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole
SMILESCOc1ccc(OCC2CCCN(Cc3nc(COc4ccccc4)no3)C2)cc1
InChIInChI=1S/C23H27N3O4/c1-27-19-9-11-21(12-10-19)28-16-18-6-5-13-26(14-18)15-23-24-22(25-30-23)17-29-20-7-3-2-4-8-20/h2-4,7-12,18H,5-6,13-17H2,1H3
InChIKeySCIGNYGNHXBDHQ-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.95
Rot. Bonds9

About 5-[[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole

5-[[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole (PubChem CID 45175492) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is 5-[[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole
PubChem CID45175492
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name5-[[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole
SMILESCOc1ccc(OCC2CCCN(Cc3nc(COc4ccccc4)no3)C2)cc1
InChIInChI=1S/C23H27N3O4/c1-27-19-9-11-21(12-10-19)28-16-18-6-5-13-26(14-18)15-23-24-22(25-30-23)17-29-20-7-3-2-4-8-20/h2-4,7-12,18H,5-6,13-17H2,1H3
InChIKeySCIGNYGNHXBDHQ-UHFFFAOYSA-N
XLogP3.95
TPSA69.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

3-benzyl-5-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 42395337
5-[[(2S)-2-benzylpyrrolidin-1-yl]methyl]-3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole
CID 25486784
3-benzyl-5-[[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 45251270
(2R,6R)-4-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2,6-dimethylmorpholine
CID 94017624
3-methoxy-4-[[1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methoxy]benzonitrile
CID 155913832
3-[(4-methoxyphenoxy)methyl]-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 17488526
2-[[3-(phenoxymethyl)piperidin-1-yl]methyl]-5-phenyl-1,3-oxazole
CID 86972382
5-[[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 163352717
5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 42095742
5-[[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole
CID 42929567
3-(phenoxymethyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 29026870
[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanol
CID 62021565

Frequently Asked Questions

What is the IUPAC name of 5-[[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole (CID 45175492) is 5-[[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole is COc1ccc(OCC2CCCN(Cc3nc(COc4ccccc4)no3)C2)cc1.
What is the InChIKey of 5-[[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole?
The InChIKey is SCIGNYGNHXBDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-27-19-9-11-21(12-10-19)28-16-18-6-5-13-26(14-18)15-23-24-22(25-30-23)17-29-20-7-3-2-4-8-20/h2-4,7-12,18H,5-6,13-17H2,1H3.
What are the key properties of 5-[[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole?
5-[[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole has a molecular weight of 409.49 g/mol, XLogP of 3.95, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 45175492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).