2-(oxan-4-ylmethyl)-5-(1-pyridin-2-ylpiperidin-4-yl)-1,3,4-oxadiazole

C18H24N4O2 — CID 22017589

IUPAC2-(oxan-4-ylmethyl)-5-(1-pyridin-2-ylpiperidin-4-yl)-1,3,4-oxadiazole
SMILESc1ccc(N2CCC(c3nnc(CC4CCOCC4)o3)CC2)nc1
InChIInChI=1S/C18H24N4O2/c1-2-8-19-16(3-1)22-9-4-15(5-10-22)18-21-20-17(24-18)13-14-6-11-23-12-7-14/h1-3,8,14-15H,4-7,9-13H2
InChIKeyVTCJNWLMILOMSR-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.82
Rot. Bonds4

About 2-(oxan-4-ylmethyl)-5-(1-pyridin-2-ylpiperidin-4-yl)-1,3,4-oxadiazole

2-(oxan-4-ylmethyl)-5-(1-pyridin-2-ylpiperidin-4-yl)-1,3,4-oxadiazole (PubChem CID 22017589) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-(oxan-4-ylmethyl)-5-(1-pyridin-2-ylpiperidin-4-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(oxan-4-ylmethyl)-5-(1-pyridin-2-ylpiperidin-4-yl)-1,3,4-oxadiazole
PubChem CID22017589
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-(oxan-4-ylmethyl)-5-(1-pyridin-2-ylpiperidin-4-yl)-1,3,4-oxadiazole
SMILESc1ccc(N2CCC(c3nnc(CC4CCOCC4)o3)CC2)nc1
InChIInChI=1S/C18H24N4O2/c1-2-8-19-16(3-1)22-9-4-15(5-10-22)18-21-20-17(24-18)13-14-6-11-23-12-7-14/h1-3,8,14-15H,4-7,9-13H2
InChIKeyVTCJNWLMILOMSR-UHFFFAOYSA-N
XLogP2.82
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(oxan-4-ylmethyl)-5-(1-pyridin-2-ylpiperidin-4-yl)-1,3,4-oxadiazole 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

2-cyclopropyl-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 47520575
4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]morpholine
CID 13345110
N-(oxepan-4-yl)-1-pyridin-2-ylpiperidin-4-amine
CID 65082180
5-cyclopropyl-3-(1-pyridin-2-ylpiperidin-4-yl)-1,2,4-oxadiazole
CID 133475123
1-morpholin-4-yl-2-(1-pyridin-2-ylpiperidin-4-yl)ethanone
CID 175648113
2-cyclopropyl-5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 47704652
(1-pyridin-2-ylpiperidin-4-yl)methanamine;dihydrochloride
CID 140971287
7,10-dipyridin-2-yl-1-oxa-4,13-dithia-7,10-diazacyclopentadecane
CID 15321740
N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propan-2-amine
CID 62592659
2-[4-[4-benzyl-5-(oxolan-2-yl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
CID 10068937
ethane;1-methyl-4-[(1-pyridin-2-ylpiperidin-4-yl)methyl]piperazine
CID 171070111
2-cyclopropyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 47520325

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-ylmethyl)-5-(1-pyridin-2-ylpiperidin-4-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(oxan-4-ylmethyl)-5-(1-pyridin-2-ylpiperidin-4-yl)-1,3,4-oxadiazole (CID 22017589) is 2-(oxan-4-ylmethyl)-5-(1-pyridin-2-ylpiperidin-4-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(oxan-4-ylmethyl)-5-(1-pyridin-2-ylpiperidin-4-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(oxan-4-ylmethyl)-5-(1-pyridin-2-ylpiperidin-4-yl)-1,3,4-oxadiazole is c1ccc(N2CCC(c3nnc(CC4CCOCC4)o3)CC2)nc1.
What is the InChIKey of 2-(oxan-4-ylmethyl)-5-(1-pyridin-2-ylpiperidin-4-yl)-1,3,4-oxadiazole?
The InChIKey is VTCJNWLMILOMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-2-8-19-16(3-1)22-9-4-15(5-10-22)18-21-20-17(24-18)13-14-6-11-23-12-7-14/h1-3,8,14-15H,4-7,9-13H2.
What are the key properties of 2-(oxan-4-ylmethyl)-5-(1-pyridin-2-ylpiperidin-4-yl)-1,3,4-oxadiazole?
2-(oxan-4-ylmethyl)-5-(1-pyridin-2-ylpiperidin-4-yl)-1,3,4-oxadiazole has a molecular weight of 328.42 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-ylmethyl)-5-(1-pyridin-2-ylpiperidin-4-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 22017589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).