5-(oxolan-2-yl)-N-[(5-pyridin-3-yl-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine

C17H17N5O2 — CID 167939434

IUPAC5-(oxolan-2-yl)-N-[(5-pyridin-3-yl-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESc1cncc(-c2cncc(CNc3nnc(C4CCCO4)o3)c2)c1
InChIInChI=1S/C17H17N5O2/c1-3-13(10-18-5-1)14-7-12(8-19-11-14)9-20-17-22-21-16(24-17)15-4-2-6-23-15/h1,3,5,7-8,10-11,15H,2,4,6,9H2,(H,20,22)
InChIKeyNBJDWMAEQPFFMP-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.99
Rot. Bonds5

About 5-(oxolan-2-yl)-N-[(5-pyridin-3-yl-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine

5-(oxolan-2-yl)-N-[(5-pyridin-3-yl-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 167939434) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 5-(oxolan-2-yl)-N-[(5-pyridin-3-yl-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(oxolan-2-yl)-N-[(5-pyridin-3-yl-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID167939434
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name5-(oxolan-2-yl)-N-[(5-pyridin-3-yl-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESc1cncc(-c2cncc(CNc3nnc(C4CCCO4)o3)c2)c1
InChIInChI=1S/C17H17N5O2/c1-3-13(10-18-5-1)14-7-12(8-19-11-14)9-20-17-22-21-16(24-17)15-4-2-6-23-15/h1,3,5,7-8,10-11,15H,2,4,6,9H2,(H,20,22)
InChIKeyNBJDWMAEQPFFMP-UHFFFAOYSA-N
XLogP2.99
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(oxolan-2-yl)-N-[(5-pyridin-3-yl-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-2-yl)-N-[(5-pyridin-3-yl-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(oxolan-2-yl)-N-[(5-pyridin-3-yl-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine (CID 167939434) is 5-(oxolan-2-yl)-N-[(5-pyridin-3-yl-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(oxolan-2-yl)-N-[(5-pyridin-3-yl-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(oxolan-2-yl)-N-[(5-pyridin-3-yl-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine is c1cncc(-c2cncc(CNc3nnc(C4CCCO4)o3)c2)c1.
What is the InChIKey of 5-(oxolan-2-yl)-N-[(5-pyridin-3-yl-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is NBJDWMAEQPFFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-3-13(10-18-5-1)14-7-12(8-19-11-14)9-20-17-22-21-16(24-17)15-4-2-6-23-15/h1,3,5,7-8,10-11,15H,2,4,6,9H2,(H,20,22).
What are the key properties of 5-(oxolan-2-yl)-N-[(5-pyridin-3-yl-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine?
5-(oxolan-2-yl)-N-[(5-pyridin-3-yl-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 323.36 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-2-yl)-N-[(5-pyridin-3-yl-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 167939434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).