4-(3-naphthalen-1-yl-4,5-dihydro-1,2-oxazol-5-yl)benzonitrile

C20H14N2O — CID 10402420

IUPAC4-(3-naphthalen-1-yl-4,5-dihydro-1,2-oxazol-5-yl)benzonitrile
SMILESN#Cc1ccc(C2CC(c3cccc4ccccc34)=NO2)cc1
InChIInChI=1S/C20H14N2O/c21-13-14-8-10-16(11-9-14)20-12-19(22-23-20)18-7-3-5-15-4-1-2-6-17(15)18/h1-11,20H,12H2
InChIKeyOBAGZJJJYGPBKJ-UHFFFAOYSA-N
MW298.35 g/mol
LogP4.58
Rot. Bonds2

About 4-(3-naphthalen-1-yl-4,5-dihydro-1,2-oxazol-5-yl)benzonitrile

4-(3-naphthalen-1-yl-4,5-dihydro-1,2-oxazol-5-yl)benzonitrile (PubChem CID 10402420) has the molecular formula C20H14N2O and a molecular weight of 298.35 g/mol. Its IUPAC name is 4-(3-naphthalen-1-yl-4,5-dihydro-1,2-oxazol-5-yl)benzonitrile.

Molecular Properties

Compound Name4-(3-naphthalen-1-yl-4,5-dihydro-1,2-oxazol-5-yl)benzonitrile
PubChem CID10402420
Molecular FormulaC20H14N2O
Molecular Weight298.35 g/mol
Exact Mass298.11
IUPAC Name4-(3-naphthalen-1-yl-4,5-dihydro-1,2-oxazol-5-yl)benzonitrile
SMILESN#Cc1ccc(C2CC(c3cccc4ccccc34)=NO2)cc1
InChIInChI=1S/C20H14N2O/c21-13-14-8-10-16(11-9-14)20-12-19(22-23-20)18-7-3-5-15-4-1-2-6-17(15)18/h1-11,20H,12H2
InChIKeyOBAGZJJJYGPBKJ-UHFFFAOYSA-N
XLogP4.58
TPSA45.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(3-naphthalen-1-yl-4,5-dihydro-1,2-oxazol-5-yl)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-naphthalen-1-yl-4,5-dihydro-1,2-oxazol-5-yl)benzonitrile?
The IUPAC name of 4-(3-naphthalen-1-yl-4,5-dihydro-1,2-oxazol-5-yl)benzonitrile (CID 10402420) is 4-(3-naphthalen-1-yl-4,5-dihydro-1,2-oxazol-5-yl)benzonitrile.
What is the SMILES notation for 4-(3-naphthalen-1-yl-4,5-dihydro-1,2-oxazol-5-yl)benzonitrile?
The canonical SMILES for 4-(3-naphthalen-1-yl-4,5-dihydro-1,2-oxazol-5-yl)benzonitrile is N#Cc1ccc(C2CC(c3cccc4ccccc34)=NO2)cc1.
What is the InChIKey of 4-(3-naphthalen-1-yl-4,5-dihydro-1,2-oxazol-5-yl)benzonitrile?
The InChIKey is OBAGZJJJYGPBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O/c21-13-14-8-10-16(11-9-14)20-12-19(22-23-20)18-7-3-5-15-4-1-2-6-17(15)18/h1-11,20H,12H2.
What are the key properties of 4-(3-naphthalen-1-yl-4,5-dihydro-1,2-oxazol-5-yl)benzonitrile?
4-(3-naphthalen-1-yl-4,5-dihydro-1,2-oxazol-5-yl)benzonitrile has a molecular weight of 298.35 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-naphthalen-1-yl-4,5-dihydro-1,2-oxazol-5-yl)benzonitrile is sourced from PubChem (CID 10402420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).