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

C13H8N4O2 — CID 106526813

IUPAC4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
SMILESCc1ccoc1-c1noc(-c2ccnc(C#N)c2)n1
InChIInChI=1S/C13H8N4O2/c1-8-3-5-18-11(8)12-16-13(19-17-12)9-2-4-15-10(6-9)7-14/h2-6H,1H3
InChIKeyGODPMCJJTIGVJA-UHFFFAOYSA-N
MW252.23 g/mol
LogP2.57
Rot. Bonds2

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

4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile (PubChem CID 106526813) has the molecular formula C13H8N4O2 and a molecular weight of 252.23 g/mol. Its IUPAC name is 4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
PubChem CID106526813
Molecular FormulaC13H8N4O2
Molecular Weight252.23 g/mol
Exact Mass252.06
IUPAC Name4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
SMILESCc1ccoc1-c1noc(-c2ccnc(C#N)c2)n1
InChIInChI=1S/C13H8N4O2/c1-8-3-5-18-11(8)12-16-13(19-17-12)9-2-4-15-10(6-9)7-14/h2-6H,1H3
InChIKeyGODPMCJJTIGVJA-UHFFFAOYSA-N
XLogP2.57
TPSA88.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106524634
4-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106525156
4-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106526177
4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106526282
4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106525431
4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 104798239
4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106525481
4-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106525323
2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136813540
4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106523839
4-bromo-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 104798109
4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106524833

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile?
The IUPAC name of 4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile (CID 106526813) is 4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile is Cc1ccoc1-c1noc(-c2ccnc(C#N)c2)n1.
What is the InChIKey of 4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile?
The InChIKey is GODPMCJJTIGVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N4O2/c1-8-3-5-18-11(8)12-16-13(19-17-12)9-2-4-15-10(6-9)7-14/h2-6H,1H3.
What are the key properties of 4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile?
4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile has a molecular weight of 252.23 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 106526813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).