3-[4-phenyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-yl]propanenitrile

C20H16N2O — CID 21088684

IUPAC3-[4-phenyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-yl]propanenitrile
SMILESN#CCCc1oc(/C=C/c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C20H16N2O/c21-15-7-12-18-20(17-10-5-2-6-11-17)22-19(23-18)14-13-16-8-3-1-4-9-16/h1-6,8-11,13-14H,7,12H2/b14-13+
InChIKeyLXOYTSTYOYENBJ-BUHFOSPRSA-N
MW300.36 g/mol
LogP4.97
Rot. Bonds5

About 3-[4-phenyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-yl]propanenitrile

3-[4-phenyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-yl]propanenitrile (PubChem CID 21088684) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-[4-phenyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-yl]propanenitrile.

Molecular Properties

Compound Name3-[4-phenyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-yl]propanenitrile
PubChem CID21088684
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name3-[4-phenyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-yl]propanenitrile
SMILESN#CCCc1oc(/C=C/c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C20H16N2O/c21-15-7-12-18-20(17-10-5-2-6-11-17)22-19(23-18)14-13-16-8-3-1-4-9-16/h1-6,8-11,13-14H,7,12H2/b14-13+
InChIKeyLXOYTSTYOYENBJ-BUHFOSPRSA-N
XLogP4.97
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-phenyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-yl]propanenitrile?
The IUPAC name of 3-[4-phenyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-yl]propanenitrile (CID 21088684) is 3-[4-phenyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-yl]propanenitrile.
What is the SMILES notation for 3-[4-phenyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-yl]propanenitrile?
The canonical SMILES for 3-[4-phenyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-yl]propanenitrile is N#CCCc1oc(/C=C/c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 3-[4-phenyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-yl]propanenitrile?
The InChIKey is LXOYTSTYOYENBJ-BUHFOSPRSA-N. The full InChI is InChI=1S/C20H16N2O/c21-15-7-12-18-20(17-10-5-2-6-11-17)22-19(23-18)14-13-16-8-3-1-4-9-16/h1-6,8-11,13-14H,7,12H2/b14-13+.
What are the key properties of 3-[4-phenyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-yl]propanenitrile?
3-[4-phenyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-yl]propanenitrile has a molecular weight of 300.36 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-phenyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-yl]propanenitrile is sourced from PubChem (CID 21088684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).