3-pyrazin-2-yl-5-[(4-pyridin-4-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole

C17H18N6O — CID 42521587

IUPAC3-pyrazin-2-yl-5-[(4-pyridin-4-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
SMILESc1cc(C2CCN(Cc3nc(-c4cnccn4)no3)CC2)ccn1
InChIInChI=1S/C17H18N6O/c1-5-18-6-2-13(1)14-3-9-23(10-4-14)12-16-21-17(22-24-16)15-11-19-7-8-20-15/h1-2,5-8,11,14H,3-4,9-10,12H2
InChIKeyTVZMWIHTBSEHPA-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.30
Rot. Bonds4

About 3-pyrazin-2-yl-5-[(4-pyridin-4-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole

3-pyrazin-2-yl-5-[(4-pyridin-4-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 42521587) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 3-pyrazin-2-yl-5-[(4-pyridin-4-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-pyrazin-2-yl-5-[(4-pyridin-4-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID42521587
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name3-pyrazin-2-yl-5-[(4-pyridin-4-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
SMILESc1cc(C2CCN(Cc3nc(-c4cnccn4)no3)CC2)ccn1
InChIInChI=1S/C17H18N6O/c1-5-18-6-2-13(1)14-3-9-23(10-4-14)12-16-21-17(22-24-16)15-11-19-7-8-20-15/h1-2,5-8,11,14H,3-4,9-10,12H2
InChIKeyTVZMWIHTBSEHPA-UHFFFAOYSA-N
XLogP2.30
TPSA80.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-pyrazin-2-yl-5-[(4-pyridin-4-ylpiperidin-1-yl)methyl]-1,2,4-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

1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine
CID 110277887
3-pyrazin-2-yl-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 86805292
N-cyclopropylsulfanyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 134354986
5-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 146139254
5-[[(2R)-2-(3-fluorophenyl)piperidin-1-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 26332806
3-pyridin-2-yl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 25282589
(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanol
CID 63758301
N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanesulfinamide
CID 134355005
3-tert-butyl-5-[[4-methoxy-4-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 128973556
5-[(4-bromoimidazol-1-yl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 167843401
5-[(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 25296773
3-pyridin-2-yl-5-[(4-thiomorpholin-4-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 29084658

Frequently Asked Questions

What is the IUPAC name of 3-pyrazin-2-yl-5-[(4-pyridin-4-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-pyrazin-2-yl-5-[(4-pyridin-4-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole (CID 42521587) is 3-pyrazin-2-yl-5-[(4-pyridin-4-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-pyrazin-2-yl-5-[(4-pyridin-4-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-pyrazin-2-yl-5-[(4-pyridin-4-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole is c1cc(C2CCN(Cc3nc(-c4cnccn4)no3)CC2)ccn1.
What is the InChIKey of 3-pyrazin-2-yl-5-[(4-pyridin-4-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is TVZMWIHTBSEHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-5-18-6-2-13(1)14-3-9-23(10-4-14)12-16-21-17(22-24-16)15-11-19-7-8-20-15/h1-2,5-8,11,14H,3-4,9-10,12H2.
What are the key properties of 3-pyrazin-2-yl-5-[(4-pyridin-4-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole?
3-pyrazin-2-yl-5-[(4-pyridin-4-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 322.37 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazin-2-yl-5-[(4-pyridin-4-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 42521587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).