1-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]-3-piperidin-1-ylpropan-2-ol

C24H28N2O4 — CID 54586309

IUPAC1-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]-3-piperidin-1-ylpropan-2-ol
SMILESCOc1ccc(-c2cc(-c3ccccc3)no2)c(OCC(O)CN2CCCCC2)c1
InChIInChI=1S/C24H28N2O4/c1-28-20-10-11-21(24-15-22(25-30-24)18-8-4-2-5-9-18)23(14-20)29-17-19(27)16-26-12-6-3-7-13-26/h2,4-5,8-11,14-15,19,27H,3,6-7,12-13,16-17H2,1H3
InChIKeyASPDVKYIJNFYNH-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.24
Rot. Bonds8

About 1-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]-3-piperidin-1-ylpropan-2-ol

1-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]-3-piperidin-1-ylpropan-2-ol (PubChem CID 54586309) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is 1-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]-3-piperidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]-3-piperidin-1-ylpropan-2-ol
PubChem CID54586309
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name1-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]-3-piperidin-1-ylpropan-2-ol
SMILESCOc1ccc(-c2cc(-c3ccccc3)no2)c(OCC(O)CN2CCCCC2)c1
InChIInChI=1S/C24H28N2O4/c1-28-20-10-11-21(24-15-22(25-30-24)18-8-4-2-5-9-18)23(14-20)29-17-19(27)16-26-12-6-3-7-13-26/h2,4-5,8-11,14-15,19,27H,3,6-7,12-13,16-17H2,1H3
InChIKeyASPDVKYIJNFYNH-UHFFFAOYSA-N
XLogP4.24
TPSA67.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Abaperidone
CID 3037308
7-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-propoxy}-4-oxo-4H-chromene-3-carboxylic acid
CID 9892291
5-Hydroxy-2-(4-methoxyphenyl)-7-(4-(4-(6-fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)butoxy)chroman-4-one (7d)
CID 126961574
5-Hydroxy-2-(4-fluorophenyl)-7-(4-(4-(6-fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)butoxy)chroman-4-one (7e)
CID 126961575
5-Hydroxy-2-(4-methoxyphenyl)-7-(4-(4-(6-fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)propoxy)chroman-4-one (7g)
CID 126961577
2-[[3-[(3-methyl-1,2-benzoxazol-6-yl)oxy]propylamino]methyl]-3,4-dihydro-2H-chromen-7-ol;oxalic acid
CID 44355694
4-[4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-methyl-1,2-oxazol-5-yl]benzene-1,3-diol
CID 928772
6-Methoxy-3-(2-(1-(phenylmethyl)-4-piperidinyl)ethyl)-1,2-benzisoxazole
CID 9798502
7-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-propoxy}-3-methoxymethyl-chromen-4-one
CID 9804562
7-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-propoxy}-chromen-4-one
CID 9823559
7-[3-[4-(6-Fluorobenzo[d]isoxazole-3-yl)piperidin-1-yl]propoxy]-2-(hydroxymethyl)-chromen-4-one
CID 9826827
7-[3-[4-(6-Fluorobenzo[d]isoxazole-3-yl)piperidin-1-yl]propoxy]-3-formyl-chromen-4-one
CID 9933466

Frequently Asked Questions

What is the IUPAC name of 1-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]-3-piperidin-1-ylpropan-2-ol?
The IUPAC name of 1-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]-3-piperidin-1-ylpropan-2-ol (CID 54586309) is 1-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]-3-piperidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]-3-piperidin-1-ylpropan-2-ol?
The canonical SMILES for 1-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]-3-piperidin-1-ylpropan-2-ol is COc1ccc(-c2cc(-c3ccccc3)no2)c(OCC(O)CN2CCCCC2)c1.
What is the InChIKey of 1-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]-3-piperidin-1-ylpropan-2-ol?
The InChIKey is ASPDVKYIJNFYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-28-20-10-11-21(24-15-22(25-30-24)18-8-4-2-5-9-18)23(14-20)29-17-19(27)16-26-12-6-3-7-13-26/h2,4-5,8-11,14-15,19,27H,3,6-7,12-13,16-17H2,1H3.
What are the key properties of 1-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]-3-piperidin-1-ylpropan-2-ol?
1-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]-3-piperidin-1-ylpropan-2-ol has a molecular weight of 408.50 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]-3-piperidin-1-ylpropan-2-ol is sourced from PubChem (CID 54586309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).