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

C16H14N2O — CID 57166597

IUPAC3-(3-naphthalen-1-yl-2,5-dihydro-1,2-oxazol-5-yl)propanenitrile
SMILESN#CCCC1C=C(c2cccc3ccccc23)NO1
InChIInChI=1S/C16H14N2O/c17-10-4-7-13-11-16(18-19-13)15-9-3-6-12-5-1-2-8-14(12)15/h1-3,5-6,8-9,11,13,18H,4,7H2
InChIKeyWLCNVBDFZVQHHY-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.39
Rot. Bonds3

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

3-(3-naphthalen-1-yl-2,5-dihydro-1,2-oxazol-5-yl)propanenitrile (PubChem CID 57166597) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-(3-naphthalen-1-yl-2,5-dihydro-1,2-oxazol-5-yl)propanenitrile.

Molecular Properties

Compound Name3-(3-naphthalen-1-yl-2,5-dihydro-1,2-oxazol-5-yl)propanenitrile
PubChem CID57166597
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name3-(3-naphthalen-1-yl-2,5-dihydro-1,2-oxazol-5-yl)propanenitrile
SMILESN#CCCC1C=C(c2cccc3ccccc23)NO1
InChIInChI=1S/C16H14N2O/c17-10-4-7-13-11-16(18-19-13)15-9-3-6-12-5-1-2-8-14(12)15/h1-3,5-6,8-9,11,13,18H,4,7H2
InChIKeyWLCNVBDFZVQHHY-UHFFFAOYSA-N
XLogP3.39
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-naphthalen-1-yl-2,5-dihydro-1,2-oxazol-5-yl)propanenitrile 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 3-(3-naphthalen-1-yl-2,5-dihydro-1,2-oxazol-5-yl)propanenitrile?
The IUPAC name of 3-(3-naphthalen-1-yl-2,5-dihydro-1,2-oxazol-5-yl)propanenitrile (CID 57166597) is 3-(3-naphthalen-1-yl-2,5-dihydro-1,2-oxazol-5-yl)propanenitrile.
What is the SMILES notation for 3-(3-naphthalen-1-yl-2,5-dihydro-1,2-oxazol-5-yl)propanenitrile?
The canonical SMILES for 3-(3-naphthalen-1-yl-2,5-dihydro-1,2-oxazol-5-yl)propanenitrile is N#CCCC1C=C(c2cccc3ccccc23)NO1.
What is the InChIKey of 3-(3-naphthalen-1-yl-2,5-dihydro-1,2-oxazol-5-yl)propanenitrile?
The InChIKey is WLCNVBDFZVQHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c17-10-4-7-13-11-16(18-19-13)15-9-3-6-12-5-1-2-8-14(12)15/h1-3,5-6,8-9,11,13,18H,4,7H2.
What are the key properties of 3-(3-naphthalen-1-yl-2,5-dihydro-1,2-oxazol-5-yl)propanenitrile?
3-(3-naphthalen-1-yl-2,5-dihydro-1,2-oxazol-5-yl)propanenitrile has a molecular weight of 250.30 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-naphthalen-1-yl-2,5-dihydro-1,2-oxazol-5-yl)propanenitrile is sourced from PubChem (CID 57166597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).