5-methyl-3-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole

C17H19N5O2 — CID 91828517

IUPAC5-methyl-3-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole
SMILESCc1nc(C2CCCN(Cc3nc(-c4ccccc4)no3)C2)no1
InChIInChI=1S/C17H19N5O2/c1-12-18-17(20-23-12)14-8-5-9-22(10-14)11-15-19-16(21-24-15)13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-11H2,1H3
InChIKeyUHIWMYIODMOUFC-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.81
Rot. Bonds4

About 5-methyl-3-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole

5-methyl-3-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole (PubChem CID 91828517) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 5-methyl-3-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole
PubChem CID91828517
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name5-methyl-3-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole
SMILESCc1nc(C2CCCN(Cc3nc(-c4ccccc4)no3)C2)no1
InChIInChI=1S/C17H19N5O2/c1-12-18-17(20-23-12)14-8-5-9-22(10-14)11-15-19-16(21-24-15)13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-11H2,1H3
InChIKeyUHIWMYIODMOUFC-UHFFFAOYSA-N
XLogP2.81
TPSA81.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-methyl-3-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole with MolForge

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Related Compounds

2-methyl-5-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 124730881
3-(3-chlorophenyl)-5-[[(3R)-3-phenylpiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 29084359
4-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-ol
CID 103897934
(3-methylpiperidin-1-yl)-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone
CID 43929304
1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-ol
CID 47028787
3-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]-5-methyl-1,2,4-oxadiazole
CID 53015168
1-[(3R)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]imidazolidin-2-one
CID 95151332
3-(4-methylphenyl)-5-[[(3R)-3-propan-2-ylpiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 134236199
5-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 96577271
N-phenyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43929041
5-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole
CID 52525759
5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-3-phenyl-1,2,4-oxadiazole
CID 50973299

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole (CID 91828517) is 5-methyl-3-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole is Cc1nc(C2CCCN(Cc3nc(-c4ccccc4)no3)C2)no1.
What is the InChIKey of 5-methyl-3-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is UHIWMYIODMOUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-12-18-17(20-23-12)14-8-5-9-22(10-14)11-15-19-16(21-24-15)13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-11H2,1H3.
What are the key properties of 5-methyl-3-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole?
5-methyl-3-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 325.37 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 91828517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).