6-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile

C12H12N4O2 — CID 106527255

IUPAC6-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile
SMILESCCC(OC)c1noc(-c2ccc(C#N)cn2)n1
InChIInChI=1S/C12H12N4O2/c1-3-10(17-2)11-15-12(18-16-11)9-5-4-8(6-13)7-14-9/h4-5,7,10H,3H2,1-2H3
InChIKeyPOKHZAGDLKOPCC-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.10
Rot. Bonds4

About 6-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile

6-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile (PubChem CID 106527255) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 6-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile
PubChem CID106527255
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name6-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile
SMILESCCC(OC)c1noc(-c2ccc(C#N)cn2)n1
InChIInChI=1S/C12H12N4O2/c1-3-10(17-2)11-15-12(18-16-11)9-5-4-8(6-13)7-14-9/h4-5,7,10H,3H2,1-2H3
InChIKeyPOKHZAGDLKOPCC-UHFFFAOYSA-N
XLogP2.10
TPSA84.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]benzonitrile
CID 106527240
6-(3-iodo-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile
CID 112572198
2-[2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenyl]acetonitrile
CID 106527254
6-[3-[2-(methylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile
CID 63748662
5-(5-cyano-2-pyridinyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 106527913
6-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile
CID 113233892
6-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile
CID 106525265
3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 116733692
6-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile
CID 71876923
3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]naphthalen-2-ol
CID 136965177
4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 104656617
4-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 136751285

Frequently Asked Questions

What is the IUPAC name of 6-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile (CID 106527255) is 6-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile is CCC(OC)c1noc(-c2ccc(C#N)cn2)n1.
What is the InChIKey of 6-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile?
The InChIKey is POKHZAGDLKOPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-3-10(17-2)11-15-12(18-16-11)9-5-4-8(6-13)7-14-9/h4-5,7,10H,3H2,1-2H3.
What are the key properties of 6-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile?
6-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile has a molecular weight of 244.25 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 106527255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).