4-[[3-[2-(3-phenyl-1,2-oxazol-5-yl)acetyl]imidazol-4-yl]methyl]benzonitrile

C22H16N4O2 — CID 54500200

IUPAC4-[[3-[2-(3-phenyl-1,2-oxazol-5-yl)acetyl]imidazol-4-yl]methyl]benzonitrile
SMILESN#Cc1ccc(Cc2cncn2C(=O)Cc2cc(-c3ccccc3)no2)cc1
InChIInChI=1S/C22H16N4O2/c23-13-17-8-6-16(7-9-17)10-19-14-24-15-26(19)22(27)12-20-11-21(25-28-20)18-4-2-1-3-5-18/h1-9,11,14-15H,10,12H2
InChIKeyYBWPBENQTIGYOG-UHFFFAOYSA-N
MW368.40 g/mol
LogP3.88
Rot. Bonds5

About 4-[[3-[2-(3-phenyl-1,2-oxazol-5-yl)acetyl]imidazol-4-yl]methyl]benzonitrile

4-[[3-[2-(3-phenyl-1,2-oxazol-5-yl)acetyl]imidazol-4-yl]methyl]benzonitrile (PubChem CID 54500200) has the molecular formula C22H16N4O2 and a molecular weight of 368.40 g/mol. Its IUPAC name is 4-[[3-[2-(3-phenyl-1,2-oxazol-5-yl)acetyl]imidazol-4-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[3-[2-(3-phenyl-1,2-oxazol-5-yl)acetyl]imidazol-4-yl]methyl]benzonitrile
PubChem CID54500200
Molecular FormulaC22H16N4O2
Molecular Weight368.40 g/mol
Exact Mass368.13
IUPAC Name4-[[3-[2-(3-phenyl-1,2-oxazol-5-yl)acetyl]imidazol-4-yl]methyl]benzonitrile
SMILESN#Cc1ccc(Cc2cncn2C(=O)Cc2cc(-c3ccccc3)no2)cc1
InChIInChI=1S/C22H16N4O2/c23-13-17-8-6-16(7-9-17)10-19-14-24-15-26(19)22(27)12-20-11-21(25-28-20)18-4-2-1-3-5-18/h1-9,11,14-15H,10,12H2
InChIKeyYBWPBENQTIGYOG-UHFFFAOYSA-N
XLogP3.88
TPSA84.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[2-(3-phenyl-1,2-oxazol-5-yl)acetyl]imidazol-4-yl]methyl]benzonitrile?
The IUPAC name of 4-[[3-[2-(3-phenyl-1,2-oxazol-5-yl)acetyl]imidazol-4-yl]methyl]benzonitrile (CID 54500200) is 4-[[3-[2-(3-phenyl-1,2-oxazol-5-yl)acetyl]imidazol-4-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[3-[2-(3-phenyl-1,2-oxazol-5-yl)acetyl]imidazol-4-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[3-[2-(3-phenyl-1,2-oxazol-5-yl)acetyl]imidazol-4-yl]methyl]benzonitrile is N#Cc1ccc(Cc2cncn2C(=O)Cc2cc(-c3ccccc3)no2)cc1.
What is the InChIKey of 4-[[3-[2-(3-phenyl-1,2-oxazol-5-yl)acetyl]imidazol-4-yl]methyl]benzonitrile?
The InChIKey is YBWPBENQTIGYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O2/c23-13-17-8-6-16(7-9-17)10-19-14-24-15-26(19)22(27)12-20-11-21(25-28-20)18-4-2-1-3-5-18/h1-9,11,14-15H,10,12H2.
What are the key properties of 4-[[3-[2-(3-phenyl-1,2-oxazol-5-yl)acetyl]imidazol-4-yl]methyl]benzonitrile?
4-[[3-[2-(3-phenyl-1,2-oxazol-5-yl)acetyl]imidazol-4-yl]methyl]benzonitrile has a molecular weight of 368.40 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[2-(3-phenyl-1,2-oxazol-5-yl)acetyl]imidazol-4-yl]methyl]benzonitrile is sourced from PubChem (CID 54500200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).