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

C12H12N4O2 — CID 106525481

IUPAC4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
SMILESCCOC(C)c1noc(-c2ccnc(C#N)c2)n1
InChIInChI=1S/C12H12N4O2/c1-3-17-8(2)11-15-12(18-16-11)9-4-5-14-10(6-9)7-13/h4-6,8H,3H2,1-2H3
InChIKeySMIQOUVFBBDRFC-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.10
Rot. Bonds4

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

4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile (PubChem CID 106525481) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
PubChem CID106525481
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
SMILESCCOC(C)c1noc(-c2ccnc(C#N)c2)n1
InChIInChI=1S/C12H12N4O2/c1-3-17-8(2)11-15-12(18-16-11)9-4-5-14-10(6-9)7-13/h4-6,8H,3H2,1-2H3
InChIKeySMIQOUVFBBDRFC-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

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

[3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
CID 64539022
4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106525431
4-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106525323
5-(2,3-dihydro-1H-indol-5-yl)-3-(1-ethoxyethyl)-1,2,4-oxadiazole
CID 64539406
4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106526282
3-[(1S)-1-ethoxyethyl]-5-(2-phenylpyrimidin-5-yl)-1,2,4-oxadiazole
CID 97100412
4-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106525156
4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106526813
4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline
CID 64540039
4-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106526177
4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106523839
3-(diethoxymethyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 122508290

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile?
The IUPAC name of 4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile (CID 106525481) is 4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile is CCOC(C)c1noc(-c2ccnc(C#N)c2)n1.
What is the InChIKey of 4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile?
The InChIKey is SMIQOUVFBBDRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-3-17-8(2)11-15-12(18-16-11)9-4-5-14-10(6-9)7-13/h4-6,8H,3H2,1-2H3.
What are the key properties of 4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile?
4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pyridine-2-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 4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 106525481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).