4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile

C12H10N4O2 — CID 106524833

IUPAC4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2nc(C3CCOC3)no2)ccn1
InChIInChI=1S/C12H10N4O2/c13-6-10-5-8(1-3-14-10)12-15-11(16-18-12)9-2-4-17-7-9/h1,3,5,9H,2,4,7H2
InChIKeyOJVCMEOJHCDEFT-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.51
Rot. Bonds2

About 4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile

4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile (PubChem CID 106524833) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
PubChem CID106524833
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2nc(C3CCOC3)no2)ccn1
InChIInChI=1S/C12H10N4O2/c13-6-10-5-8(1-3-14-10)12-15-11(16-18-12)9-2-4-17-7-9/h1,3,5,9H,2,4,7H2
InChIKeyOJVCMEOJHCDEFT-UHFFFAOYSA-N
XLogP1.51
TPSA84.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile?
The IUPAC name of 4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile (CID 106524833) is 4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile is N#Cc1cc(-c2nc(C3CCOC3)no2)ccn1.
What is the InChIKey of 4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile?
The InChIKey is OJVCMEOJHCDEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c13-6-10-5-8(1-3-14-10)12-15-11(16-18-12)9-2-4-17-7-9/h1,3,5,9H,2,4,7H2.
What are the key properties of 4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile?
4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile has a molecular weight of 242.24 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 106524833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).