2-[[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]benzonitrile

C14H9N3O3 — CID 17407847

IUPAC2-[[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]benzonitrile
SMILESN#Cc1ccccc1Cn1nc(-c2ccco2)oc1=O
InChIInChI=1S/C14H9N3O3/c15-8-10-4-1-2-5-11(10)9-17-14(18)20-13(16-17)12-6-3-7-19-12/h1-7H,9H2
InChIKeyNQDNIDYEEYFXFF-UHFFFAOYSA-N
MW267.24 g/mol
LogP2.02
Rot. Bonds3

About 2-[[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]benzonitrile

2-[[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]benzonitrile (PubChem CID 17407847) has the molecular formula C14H9N3O3 and a molecular weight of 267.24 g/mol. Its IUPAC name is 2-[[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]benzonitrile
PubChem CID17407847
Molecular FormulaC14H9N3O3
Molecular Weight267.24 g/mol
Exact Mass267.06
IUPAC Name2-[[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]benzonitrile
SMILESN#Cc1ccccc1Cn1nc(-c2ccco2)oc1=O
InChIInChI=1S/C14H9N3O3/c15-8-10-4-1-2-5-11(10)9-17-14(18)20-13(16-17)12-6-3-7-19-12/h1-7H,9H2
InChIKeyNQDNIDYEEYFXFF-UHFFFAOYSA-N
XLogP2.02
TPSA84.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-chlorophenyl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one
CID 47126497
3-[(5-bromo-2-fluorophenyl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one
CID 47449005
5-(furan-2-yl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,3,4-oxadiazol-2-one
CID 134010518
5-(furan-2-yl)-3-(2-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-one
CID 75446474
5-(furan-2-yl)-3-(oxolan-2-ylmethyl)-1,3,4-oxadiazol-2-one
CID 71900988
methyl 5-[[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]-3-methylfuran-2-carboxylate
CID 71976926
2-[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(3-methylbutan-2-yl)acetamide
CID 47126529
N-carbamoyl-2-[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 47126523
5-(furan-2-yl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3,4-oxadiazol-2-one
CID 17407849
2-[[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]methyl]benzonitrile
CID 8689347
2-[[2-(furan-2-yl)-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl]methyl]benzonitrile
CID 135864355
5-(furan-2-yl)-3-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazol-2-one
CID 71898564

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]benzonitrile?
The IUPAC name of 2-[[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]benzonitrile (CID 17407847) is 2-[[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]benzonitrile.
What is the SMILES notation for 2-[[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]benzonitrile?
The canonical SMILES for 2-[[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]benzonitrile is N#Cc1ccccc1Cn1nc(-c2ccco2)oc1=O.
What is the InChIKey of 2-[[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]benzonitrile?
The InChIKey is NQDNIDYEEYFXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O3/c15-8-10-4-1-2-5-11(10)9-17-14(18)20-13(16-17)12-6-3-7-19-12/h1-7H,9H2.
What are the key properties of 2-[[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]benzonitrile?
2-[[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]benzonitrile has a molecular weight of 267.24 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]benzonitrile is sourced from PubChem (CID 17407847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).