3-[[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-oxazinan-2-one

C18H22N4O3 — CID 71859082

IUPAC3-[[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-oxazinan-2-one
SMILESO=C1OCCCN1Cc1nc(-c2ccc(N3CCCCC3)cc2)no1
InChIInChI=1S/C18H22N4O3/c23-18-22(11-4-12-24-18)13-16-19-17(20-25-16)14-5-7-15(8-6-14)21-9-2-1-3-10-21/h5-8H,1-4,9-13H2
InChIKeySQUVJUTVPMOOAD-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.07
Rot. Bonds4

About 3-[[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-oxazinan-2-one

3-[[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-oxazinan-2-one (PubChem CID 71859082) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-[[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-[[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-oxazinan-2-one
PubChem CID71859082
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name3-[[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-oxazinan-2-one
SMILESO=C1OCCCN1Cc1nc(-c2ccc(N3CCCCC3)cc2)no1
InChIInChI=1S/C18H22N4O3/c23-18-22(11-4-12-24-18)13-16-19-17(20-25-16)14-5-7-15(8-6-14)21-9-2-1-3-10-21/h5-8H,1-4,9-13H2
InChIKeySQUVJUTVPMOOAD-UHFFFAOYSA-N
XLogP3.07
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-oxazinan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 4-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-piperazinecarboxylate
CID 2235829
1-[(3-Benzyl-1,2,4-oxadiazol-5-yl)methyl]-4-(2-methylphenyl)piperazine
CID 16190854
N-(4-fluorophenyl)-2-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetamide
CID 45281436
2-(4-methylanilino)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide
CID 71662944
N-{4-[5-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl}-1,3-dihydro-2H-isoindole-2-carboxamide
CID 57510343
N-[4-[5-[(4-methoxypiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 57510521
N-[4-[5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 57510522
US11066396, Example 196
CID 132258769
US11066396, Example 162
CID 132258807
US11066396, Example 163
CID 138749152
Dimethyl({[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl})amine
CID 25312602
Ethyl 4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carboxylate
CID 752357

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-oxazinan-2-one?
The IUPAC name of 3-[[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-oxazinan-2-one (CID 71859082) is 3-[[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-oxazinan-2-one.
What is the SMILES notation for 3-[[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-oxazinan-2-one?
The canonical SMILES for 3-[[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-oxazinan-2-one is O=C1OCCCN1Cc1nc(-c2ccc(N3CCCCC3)cc2)no1.
What is the InChIKey of 3-[[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-oxazinan-2-one?
The InChIKey is SQUVJUTVPMOOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c23-18-22(11-4-12-24-18)13-16-19-17(20-25-16)14-5-7-15(8-6-14)21-9-2-1-3-10-21/h5-8H,1-4,9-13H2.
What are the key properties of 3-[[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-oxazinan-2-one?
3-[[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-oxazinan-2-one has a molecular weight of 342.40 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-oxazinan-2-one is sourced from PubChem (CID 71859082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).