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

C14H9N3O2 — CID 106526811

IUPAC4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
SMILESCc1occc1-c1noc(-c2ccc(C#N)cc2)n1
InChIInChI=1S/C14H9N3O2/c1-9-12(6-7-18-9)13-16-14(19-17-13)11-4-2-10(8-15)3-5-11/h2-7H,1H3
InChIKeyAKEZTBOCIJBWPR-UHFFFAOYSA-N
MW251.25 g/mol
LogP3.18
Rot. Bonds2

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

4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile (PubChem CID 106526811) has the molecular formula C14H9N3O2 and a molecular weight of 251.25 g/mol. Its IUPAC name is 4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile.

Molecular Properties

Compound Name4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
PubChem CID106526811
Molecular FormulaC14H9N3O2
Molecular Weight251.25 g/mol
Exact Mass251.07
IUPAC Name4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
SMILESCc1occc1-c1noc(-c2ccc(C#N)cc2)n1
InChIInChI=1S/C14H9N3O2/c1-9-12(6-7-18-9)13-16-14(19-17-13)11-4-2-10(8-15)3-5-11/h2-7H,1H3
InChIKeyAKEZTBOCIJBWPR-UHFFFAOYSA-N
XLogP3.18
TPSA75.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 104788960
4-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 104677046
3-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 104791040
4-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106526530
4-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 107283100
4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 104656617
[3-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
CID 104788905
4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136904254
4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 103655221
4-bromo-3-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 104788922
2-[3-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 104788751
4-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106526858

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile?
The IUPAC name of 4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile (CID 106526811) is 4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile.
What is the SMILES notation for 4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile?
The canonical SMILES for 4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile is Cc1occc1-c1noc(-c2ccc(C#N)cc2)n1.
What is the InChIKey of 4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile?
The InChIKey is AKEZTBOCIJBWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O2/c1-9-12(6-7-18-9)13-16-14(19-17-13)11-4-2-10(8-15)3-5-11/h2-7H,1H3.
What are the key properties of 4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile?
4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile has a molecular weight of 251.25 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile is sourced from PubChem (CID 106526811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).