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

C10H4F3N3O2 — CID 175847397

IUPAC2-[2-oxo-5-(trifluoromethyl)-1,3,4-oxadiazol-3-yl]benzonitrile
SMILESN#Cc1ccccc1-n1nc(C(F)(F)F)oc1=O
InChIInChI=1S/C10H4F3N3O2/c11-10(12,13)8-15-16(9(17)18-8)7-4-2-1-3-6(7)5-14/h1-4H
InChIKeyIVDMALTTYUVSRR-UHFFFAOYSA-N
MW255.16 g/mol
LogP1.72
Rot. Bonds1

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

2-[2-oxo-5-(trifluoromethyl)-1,3,4-oxadiazol-3-yl]benzonitrile (PubChem CID 175847397) has the molecular formula C10H4F3N3O2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 2-[2-oxo-5-(trifluoromethyl)-1,3,4-oxadiazol-3-yl]benzonitrile.

Molecular Properties

Compound Name2-[2-oxo-5-(trifluoromethyl)-1,3,4-oxadiazol-3-yl]benzonitrile
PubChem CID175847397
Molecular FormulaC10H4F3N3O2
Molecular Weight255.16 g/mol
Exact Mass255.03
IUPAC Name2-[2-oxo-5-(trifluoromethyl)-1,3,4-oxadiazol-3-yl]benzonitrile
SMILESN#Cc1ccccc1-n1nc(C(F)(F)F)oc1=O
InChIInChI=1S/C10H4F3N3O2/c11-10(12,13)8-15-16(9(17)18-8)7-4-2-1-3-6(7)5-14/h1-4H
InChIKeyIVDMALTTYUVSRR-UHFFFAOYSA-N
XLogP1.72
TPSA71.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-5-(trifluoromethyl)-1,3,4-oxadiazol-3-yl]benzonitrile?
The IUPAC name of 2-[2-oxo-5-(trifluoromethyl)-1,3,4-oxadiazol-3-yl]benzonitrile (CID 175847397) is 2-[2-oxo-5-(trifluoromethyl)-1,3,4-oxadiazol-3-yl]benzonitrile.
What is the SMILES notation for 2-[2-oxo-5-(trifluoromethyl)-1,3,4-oxadiazol-3-yl]benzonitrile?
The canonical SMILES for 2-[2-oxo-5-(trifluoromethyl)-1,3,4-oxadiazol-3-yl]benzonitrile is N#Cc1ccccc1-n1nc(C(F)(F)F)oc1=O.
What is the InChIKey of 2-[2-oxo-5-(trifluoromethyl)-1,3,4-oxadiazol-3-yl]benzonitrile?
The InChIKey is IVDMALTTYUVSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F3N3O2/c11-10(12,13)8-15-16(9(17)18-8)7-4-2-1-3-6(7)5-14/h1-4H.
What are the key properties of 2-[2-oxo-5-(trifluoromethyl)-1,3,4-oxadiazol-3-yl]benzonitrile?
2-[2-oxo-5-(trifluoromethyl)-1,3,4-oxadiazol-3-yl]benzonitrile has a molecular weight of 255.16 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-5-(trifluoromethyl)-1,3,4-oxadiazol-3-yl]benzonitrile is sourced from PubChem (CID 175847397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).