1-phenoxy-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-2-ol

C22H25N3O3 — CID 4206507

IUPAC1-phenoxy-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-2-ol
SMILESOC(COc1ccccc1)CN1CCC(c2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C22H25N3O3/c26-19(16-27-20-9-5-2-6-10-20)15-25-13-11-18(12-14-25)22-24-23-21(28-22)17-7-3-1-4-8-17/h1-10,18-19,26H,11-16H2
InChIKeyVSLAHLJWJCCWSQ-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.36
Rot. Bonds7

About 1-phenoxy-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-2-ol

1-phenoxy-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-2-ol (PubChem CID 4206507) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-phenoxy-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-phenoxy-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-2-ol
PubChem CID4206507
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name1-phenoxy-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-2-ol
SMILESOC(COc1ccccc1)CN1CCC(c2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C22H25N3O3/c26-19(16-27-20-9-5-2-6-10-20)15-25-13-11-18(12-14-25)22-24-23-21(28-22)17-7-3-1-4-8-17/h1-10,18-19,26H,11-16H2
InChIKeyVSLAHLJWJCCWSQ-UHFFFAOYSA-N
XLogP3.36
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-phenoxy-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-2-ol with MolForge

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Related Compounds

1-[4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-3-phenoxypropan-2-ol
CID 86895568
(2R)-2-hydroxy-2-[1-[(2R)-2-hydroxy-3-phenoxypropyl]piperidin-4-yl]acetamide
CID 129490089
1-(4-methylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 2939361
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-phenoxypropan-2-ol
CID 111113995
1-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]piperidine-4-carboxamide
CID 2520625
2-cyclopentyl-5-phenyl-1,3,4-oxadiazole
CID 83382259
4-[(2R)-2-hydroxy-3-[(3S)-3-phenylpyrrolidin-1-yl]propoxy]benzonitrile
CID 100851303
1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-phenoxypropan-2-ol
CID 140972247
1-naphthalen-1-yloxy-3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-2-ol
CID 86889645
methyl 4-[3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-hydroxypropoxy]benzoate
CID 55470076
(2R)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 735579
(2S)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 2062296

Frequently Asked Questions

What is the IUPAC name of 1-phenoxy-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-2-ol?
The IUPAC name of 1-phenoxy-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-2-ol (CID 4206507) is 1-phenoxy-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-phenoxy-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-phenoxy-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-2-ol is OC(COc1ccccc1)CN1CCC(c2nnc(-c3ccccc3)o2)CC1.
What is the InChIKey of 1-phenoxy-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-2-ol?
The InChIKey is VSLAHLJWJCCWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c26-19(16-27-20-9-5-2-6-10-20)15-25-13-11-18(12-14-25)22-24-23-21(28-22)17-7-3-1-4-8-17/h1-10,18-19,26H,11-16H2.
What are the key properties of 1-phenoxy-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-2-ol?
1-phenoxy-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-2-ol has a molecular weight of 379.46 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxy-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 4206507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).