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

C14H9N3O2S — CID 2739643

IUPAC4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzonitrile
SMILESN#Cc1ccc(OCc2noc(-c3ccsc3)n2)cc1
InChIInChI=1S/C14H9N3O2S/c15-7-10-1-3-12(4-2-10)18-8-13-16-14(19-17-13)11-5-6-20-9-11/h1-6,9H,8H2
InChIKeyMVJIDEPADKLGSJ-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.25
Rot. Bonds4

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

4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzonitrile (PubChem CID 2739643) has the molecular formula C14H9N3O2S and a molecular weight of 283.31 g/mol. Its IUPAC name is 4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzonitrile.

Molecular Properties

Compound Name4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzonitrile
PubChem CID2739643
Molecular FormulaC14H9N3O2S
Molecular Weight283.31 g/mol
Exact Mass283.04
IUPAC Name4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzonitrile
SMILESN#Cc1ccc(OCc2noc(-c3ccsc3)n2)cc1
InChIInChI=1S/C14H9N3O2S/c15-7-10-1-3-12(4-2-10)18-8-13-16-14(19-17-13)11-5-6-20-9-11/h1-6,9H,8H2
InChIKeyMVJIDEPADKLGSJ-UHFFFAOYSA-N
XLogP3.25
TPSA71.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzonitrile?
The IUPAC name of 4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzonitrile (CID 2739643) is 4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzonitrile.
What is the SMILES notation for 4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzonitrile?
The canonical SMILES for 4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzonitrile is N#Cc1ccc(OCc2noc(-c3ccsc3)n2)cc1.
What is the InChIKey of 4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzonitrile?
The InChIKey is MVJIDEPADKLGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O2S/c15-7-10-1-3-12(4-2-10)18-8-13-16-14(19-17-13)11-5-6-20-9-11/h1-6,9H,8H2.
What are the key properties of 4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzonitrile?
4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzonitrile has a molecular weight of 283.31 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzonitrile is sourced from PubChem (CID 2739643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).