4-naphthalen-2-yl-2-oxido-3-propan-2-yl-1,2,5-oxadiazol-2-ium

C15H14N2O2 — CID 102441723

IUPAC4-naphthalen-2-yl-2-oxido-3-propan-2-yl-1,2,5-oxadiazol-2-ium
SMILESCC(C)c1c(-c2ccc3ccccc3c2)no[n+]1[O-]
InChIInChI=1S/C15H14N2O2/c1-10(2)15-14(16-19-17(15)18)13-8-7-11-5-3-4-6-12(11)9-13/h3-10H,1-2H3
InChIKeyCRGFMAQGVRBRFN-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.25
Rot. Bonds2

About 4-naphthalen-2-yl-2-oxido-3-propan-2-yl-1,2,5-oxadiazol-2-ium

4-naphthalen-2-yl-2-oxido-3-propan-2-yl-1,2,5-oxadiazol-2-ium (PubChem CID 102441723) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-naphthalen-2-yl-2-oxido-3-propan-2-yl-1,2,5-oxadiazol-2-ium.

Molecular Properties

Compound Name4-naphthalen-2-yl-2-oxido-3-propan-2-yl-1,2,5-oxadiazol-2-ium
PubChem CID102441723
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name4-naphthalen-2-yl-2-oxido-3-propan-2-yl-1,2,5-oxadiazol-2-ium
SMILESCC(C)c1c(-c2ccc3ccccc3c2)no[n+]1[O-]
InChIInChI=1S/C15H14N2O2/c1-10(2)15-14(16-19-17(15)18)13-8-7-11-5-3-4-6-12(11)9-13/h3-10H,1-2H3
InChIKeyCRGFMAQGVRBRFN-UHFFFAOYSA-N
XLogP3.25
TPSA52.97 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}

Analyze 4-naphthalen-2-yl-2-oxido-3-propan-2-yl-1,2,5-oxadiazol-2-ium with MolForge

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

Launch Full Analysis

Related Compounds

3-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63351950
4-naphthalen-2-yl-2-propan-2-ylquinazoline
CID 130266064
5-methyl-6-naphthalen-2-yl-2-propan-2-ylpyrimidin-4-amine
CID 80978774
trimethyl-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]silane
CID 171056374
N-methyl-5-naphthalen-2-ylpyrimidin-2-amine
CID 116977056
2,5-dimethyl-4-naphthalen-2-yl-1,3-thiazole
CID 21058775
4-methyl-3-naphthalen-2-yl-1,2-oxazole-5-carboxylic acid
CID 82362316
2-methyl-1-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 62715364
2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pentan-3-amine
CID 63561633
2-(2,5-dimethylphenyl)naphthalene
CID 59648717
(1R)-2,2-dimethyl-1-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 104899417
benzo[f]azulene
CID 13065869

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-2-oxido-3-propan-2-yl-1,2,5-oxadiazol-2-ium?
The IUPAC name of 4-naphthalen-2-yl-2-oxido-3-propan-2-yl-1,2,5-oxadiazol-2-ium (CID 102441723) is 4-naphthalen-2-yl-2-oxido-3-propan-2-yl-1,2,5-oxadiazol-2-ium.
What is the SMILES notation for 4-naphthalen-2-yl-2-oxido-3-propan-2-yl-1,2,5-oxadiazol-2-ium?
The canonical SMILES for 4-naphthalen-2-yl-2-oxido-3-propan-2-yl-1,2,5-oxadiazol-2-ium is CC(C)c1c(-c2ccc3ccccc3c2)no[n+]1[O-].
What is the InChIKey of 4-naphthalen-2-yl-2-oxido-3-propan-2-yl-1,2,5-oxadiazol-2-ium?
The InChIKey is CRGFMAQGVRBRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-10(2)15-14(16-19-17(15)18)13-8-7-11-5-3-4-6-12(11)9-13/h3-10H,1-2H3.
What are the key properties of 4-naphthalen-2-yl-2-oxido-3-propan-2-yl-1,2,5-oxadiazol-2-ium?
4-naphthalen-2-yl-2-oxido-3-propan-2-yl-1,2,5-oxadiazol-2-ium has a molecular weight of 254.29 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yl-2-oxido-3-propan-2-yl-1,2,5-oxadiazol-2-ium is sourced from PubChem (CID 102441723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).