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

C15H9F2N5O2 — CID 169290265

IUPAC3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]benzonitrile
SMILESN#Cc1cccc(OCc2ncc(-c3nnc(C(F)F)o3)cn2)c1
InChIInChI=1S/C15H9F2N5O2/c16-13(17)15-22-21-14(24-15)10-6-19-12(20-7-10)8-23-11-3-1-2-9(4-11)5-18/h1-4,6-7,13H,8H2
InChIKeyUEDAEOGOVKFDFV-UHFFFAOYSA-N
MW329.27 g/mol
LogP2.91
Rot. Bonds5

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

3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]benzonitrile (PubChem CID 169290265) has the molecular formula C15H9F2N5O2 and a molecular weight of 329.27 g/mol. Its IUPAC name is 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]benzonitrile.

Molecular Properties

Compound Name3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]benzonitrile
PubChem CID169290265
Molecular FormulaC15H9F2N5O2
Molecular Weight329.27 g/mol
Exact Mass329.07
IUPAC Name3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]benzonitrile
SMILESN#Cc1cccc(OCc2ncc(-c3nnc(C(F)F)o3)cn2)c1
InChIInChI=1S/C15H9F2N5O2/c16-13(17)15-22-21-14(24-15)10-6-19-12(20-7-10)8-23-11-3-1-2-9(4-11)5-18/h1-4,6-7,13H,8H2
InChIKeyUEDAEOGOVKFDFV-UHFFFAOYSA-N
XLogP2.91
TPSA97.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]benzonitrile?
The IUPAC name of 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]benzonitrile (CID 169290265) is 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]benzonitrile.
What is the SMILES notation for 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]benzonitrile?
The canonical SMILES for 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]benzonitrile is N#Cc1cccc(OCc2ncc(-c3nnc(C(F)F)o3)cn2)c1.
What is the InChIKey of 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]benzonitrile?
The InChIKey is UEDAEOGOVKFDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2N5O2/c16-13(17)15-22-21-14(24-15)10-6-19-12(20-7-10)8-23-11-3-1-2-9(4-11)5-18/h1-4,6-7,13H,8H2.
What are the key properties of 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]benzonitrile?
3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]benzonitrile has a molecular weight of 329.27 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]benzonitrile is sourced from PubChem (CID 169290265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).