1-[4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-phenoxypropan-2-ol

C23H28N4O4 — CID 86895566

IUPAC1-[4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-phenoxypropan-2-ol
SMILESCOc1cccc(-c2noc(CN3CCN(CC(O)COc4ccccc4)CC3)n2)c1
InChIInChI=1S/C23H28N4O4/c1-29-21-9-5-6-18(14-21)23-24-22(31-25-23)16-27-12-10-26(11-13-27)15-19(28)17-30-20-7-3-2-4-8-20/h2-9,14,19,28H,10-13,15-17H2,1H3
InChIKeySVBIVZHGHBKMTB-UHFFFAOYSA-N
MW424.50 g/mol
LogP2.30
Rot. Bonds9

About 1-[4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-phenoxypropan-2-ol

1-[4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-phenoxypropan-2-ol (PubChem CID 86895566) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is 1-[4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-[4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-phenoxypropan-2-ol
PubChem CID86895566
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC Name1-[4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-phenoxypropan-2-ol
SMILESCOc1cccc(-c2noc(CN3CCN(CC(O)COc4ccccc4)CC3)n2)c1
InChIInChI=1S/C23H28N4O4/c1-29-21-9-5-6-18(14-21)23-24-22(31-25-23)16-27-12-10-26(11-13-27)15-19(28)17-30-20-7-3-2-4-8-20/h2-9,14,19,28H,10-13,15-17H2,1H3
InChIKeySVBIVZHGHBKMTB-UHFFFAOYSA-N
XLogP2.30
TPSA84.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-phenoxypropan-2-ol with MolForge

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Related Compounds

3-(3-methoxyphenyl)-5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 34728562
5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 8592317
3-(4-methoxyphenyl)-5-[[4-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 55648707
(2S)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-3-phenoxypropan-2-ol
CID 94767954
1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 84590494
1-(4-benzylpiperazin-1-yl)-3-(4-methoxyphenoxy)propan-2-ol;dihydrochloride
CID 2867463
(2S)-1-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid
CID 124688617
1-[(3-methoxyphenyl)methoxy]-3-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 42934903
4-[5-[[4-[2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]benzonitrile
CID 22064243
1-(4-methoxyphenoxy)-3-[4-[[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]propan-2-ol
CID 22064257
(2R)-1-(4-ethylpiperazin-1-yl)-3-(3-methoxyphenoxy)propan-2-ol
CID 737489
[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(4-phenylphenyl)methanone
CID 26113719

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-phenoxypropan-2-ol?
The IUPAC name of 1-[4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-phenoxypropan-2-ol (CID 86895566) is 1-[4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-[4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-phenoxypropan-2-ol?
The canonical SMILES for 1-[4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-phenoxypropan-2-ol is COc1cccc(-c2noc(CN3CCN(CC(O)COc4ccccc4)CC3)n2)c1.
What is the InChIKey of 1-[4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-phenoxypropan-2-ol?
The InChIKey is SVBIVZHGHBKMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-29-21-9-5-6-18(14-21)23-24-22(31-25-23)16-27-12-10-26(11-13-27)15-19(28)17-30-20-7-3-2-4-8-20/h2-9,14,19,28H,10-13,15-17H2,1H3.
What are the key properties of 1-[4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-phenoxypropan-2-ol?
1-[4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-phenoxypropan-2-ol has a molecular weight of 424.50 g/mol, XLogP of 2.30, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-phenoxypropan-2-ol is sourced from PubChem (CID 86895566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).