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

C11H9N3O2 — CID 106526792

IUPAC2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
SMILESCc1occc1-c1noc(C2CC2C#N)n1
InChIInChI=1S/C11H9N3O2/c1-6-8(2-3-15-6)10-13-11(16-14-10)9-4-7(9)5-12/h2-3,7,9H,4H2,1H3
InChIKeyBVHHESMAEBXWDQ-UHFFFAOYSA-N
MW215.21 g/mol
LogP2.27
Rot. Bonds2

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

2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile (PubChem CID 106526792) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
PubChem CID106526792
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
SMILESCc1occc1-c1noc(C2CC2C#N)n1
InChIInChI=1S/C11H9N3O2/c1-6-8(2-3-15-6)10-13-11(16-14-10)9-4-7(9)5-12/h2-3,7,9H,4H2,1H3
InChIKeyBVHHESMAEBXWDQ-UHFFFAOYSA-N
XLogP2.27
TPSA75.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
CID 106524414
2-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
CID 106524281
N-methyl-4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 104788882
3-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]bicyclo[2.2.1]heptan-2-amine
CID 104788754
2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carbonitrile
CID 106523988
4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 104790960
2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carbonitrile
CID 106523670
2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
CID 136770990
2-[3-[4-bromo-2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
CID 106524431
2-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
CID 106850712
5-(azepan-2-yl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole
CID 113453222
2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]morpholine
CID 104788838

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile?
The IUPAC name of 2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile (CID 106526792) is 2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile?
The canonical SMILES for 2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile is Cc1occc1-c1noc(C2CC2C#N)n1.
What is the InChIKey of 2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile?
The InChIKey is BVHHESMAEBXWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c1-6-8(2-3-15-6)10-13-11(16-14-10)9-4-7(9)5-12/h2-3,7,9H,4H2,1H3.
What are the key properties of 2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile?
2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile has a molecular weight of 215.21 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 106526792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).