4-(oxadiazol-5-yl)-2-propoxypyridine-3-carbonitrile

C11H10N4O2 — CID 67285460

IUPAC4-(oxadiazol-5-yl)-2-propoxypyridine-3-carbonitrile
SMILESCCCOc1nccc(-c2cnno2)c1C#N
InChIInChI=1S/C11H10N4O2/c1-2-5-16-11-9(6-12)8(3-4-13-11)10-7-14-15-17-10/h3-4,7H,2,5H2,1H3
InChIKeyUGANTAWQEIAGFL-UHFFFAOYSA-N
MW230.23 g/mol
LogP1.79
Rot. Bonds4

About 4-(oxadiazol-5-yl)-2-propoxypyridine-3-carbonitrile

4-(oxadiazol-5-yl)-2-propoxypyridine-3-carbonitrile (PubChem CID 67285460) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 4-(oxadiazol-5-yl)-2-propoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(oxadiazol-5-yl)-2-propoxypyridine-3-carbonitrile
PubChem CID67285460
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC Name4-(oxadiazol-5-yl)-2-propoxypyridine-3-carbonitrile
SMILESCCCOc1nccc(-c2cnno2)c1C#N
InChIInChI=1S/C11H10N4O2/c1-2-5-16-11-9(6-12)8(3-4-13-11)10-7-14-15-17-10/h3-4,7H,2,5H2,1H3
InChIKeyUGANTAWQEIAGFL-UHFFFAOYSA-N
XLogP1.79
TPSA84.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(oxadiazol-5-yl)-2-propoxypyridine-3-carbonitrile 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 4-(oxadiazol-5-yl)-2-propoxypyridine-3-carbonitrile?
The IUPAC name of 4-(oxadiazol-5-yl)-2-propoxypyridine-3-carbonitrile (CID 67285460) is 4-(oxadiazol-5-yl)-2-propoxypyridine-3-carbonitrile.
What is the SMILES notation for 4-(oxadiazol-5-yl)-2-propoxypyridine-3-carbonitrile?
The canonical SMILES for 4-(oxadiazol-5-yl)-2-propoxypyridine-3-carbonitrile is CCCOc1nccc(-c2cnno2)c1C#N.
What is the InChIKey of 4-(oxadiazol-5-yl)-2-propoxypyridine-3-carbonitrile?
The InChIKey is UGANTAWQEIAGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c1-2-5-16-11-9(6-12)8(3-4-13-11)10-7-14-15-17-10/h3-4,7H,2,5H2,1H3.
What are the key properties of 4-(oxadiazol-5-yl)-2-propoxypyridine-3-carbonitrile?
4-(oxadiazol-5-yl)-2-propoxypyridine-3-carbonitrile has a molecular weight of 230.23 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxadiazol-5-yl)-2-propoxypyridine-3-carbonitrile is sourced from PubChem (CID 67285460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).