4-[(5S)-3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl]benzonitrile

C15H11N3O — CID 2358226

IUPAC4-[(5S)-3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl]benzonitrile
SMILESN#Cc1ccc([C@H]2N=C(c3ccccc3)NO2)cc1
InChIInChI=1S/C15H11N3O/c16-10-11-6-8-13(9-7-11)15-17-14(18-19-15)12-4-2-1-3-5-12/h1-9,15H,(H,17,18)/t15-/m0/s1
InChIKeyBJFXICTTWGARCG-HNNXBMFYSA-N
MW249.27 g/mol
LogP2.54
Rot. Bonds2

About 4-[(5S)-3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl]benzonitrile

4-[(5S)-3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl]benzonitrile (PubChem CID 2358226) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is 4-[(5S)-3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl]benzonitrile.

Molecular Properties

Compound Name4-[(5S)-3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl]benzonitrile
PubChem CID2358226
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Name4-[(5S)-3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl]benzonitrile
SMILESN#Cc1ccc([C@H]2N=C(c3ccccc3)NO2)cc1
InChIInChI=1S/C15H11N3O/c16-10-11-6-8-13(9-7-11)15-17-14(18-19-15)12-4-2-1-3-5-12/h1-9,15H,(H,17,18)/t15-/m0/s1
InChIKeyBJFXICTTWGARCG-HNNXBMFYSA-N
XLogP2.54
TPSA57.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5S)-3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl]benzonitrile?
The IUPAC name of 4-[(5S)-3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl]benzonitrile (CID 2358226) is 4-[(5S)-3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl]benzonitrile.
What is the SMILES notation for 4-[(5S)-3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl]benzonitrile?
The canonical SMILES for 4-[(5S)-3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl]benzonitrile is N#Cc1ccc([C@H]2N=C(c3ccccc3)NO2)cc1.
What is the InChIKey of 4-[(5S)-3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl]benzonitrile?
The InChIKey is BJFXICTTWGARCG-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H11N3O/c16-10-11-6-8-13(9-7-11)15-17-14(18-19-15)12-4-2-1-3-5-12/h1-9,15H,(H,17,18)/t15-/m0/s1.
What are the key properties of 4-[(5S)-3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl]benzonitrile?
4-[(5S)-3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl]benzonitrile has a molecular weight of 249.27 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5S)-3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl]benzonitrile is sourced from PubChem (CID 2358226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).