3-(4-bromonaphthalen-1-yl)-5-methoxy-4,5-dihydro-1,2-oxazole

C14H12BrNO2 — CID 174491508

IUPAC3-(4-bromonaphthalen-1-yl)-5-methoxy-4,5-dihydro-1,2-oxazole
SMILESCOC1CC(c2ccc(Br)c3ccccc23)=NO1
InChIInChI=1S/C14H12BrNO2/c1-17-14-8-13(16-18-14)11-6-7-12(15)10-5-3-2-4-9(10)11/h2-7,14H,8H2,1H3
InChIKeyZCIFKVCFRILMTM-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.70
Rot. Bonds2

About 3-(4-bromonaphthalen-1-yl)-5-methoxy-4,5-dihydro-1,2-oxazole

3-(4-bromonaphthalen-1-yl)-5-methoxy-4,5-dihydro-1,2-oxazole (PubChem CID 174491508) has the molecular formula C14H12BrNO2 and a molecular weight of 306.16 g/mol. Its IUPAC name is 3-(4-bromonaphthalen-1-yl)-5-methoxy-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(4-bromonaphthalen-1-yl)-5-methoxy-4,5-dihydro-1,2-oxazole
PubChem CID174491508
Molecular FormulaC14H12BrNO2
Molecular Weight306.16 g/mol
Exact Mass305.01
IUPAC Name3-(4-bromonaphthalen-1-yl)-5-methoxy-4,5-dihydro-1,2-oxazole
SMILESCOC1CC(c2ccc(Br)c3ccccc23)=NO1
InChIInChI=1S/C14H12BrNO2/c1-17-14-8-13(16-18-14)11-6-7-12(15)10-5-3-2-4-9(10)11/h2-7,14H,8H2,1H3
InChIKeyZCIFKVCFRILMTM-UHFFFAOYSA-N
XLogP3.70
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4-bromonaphthalen-1-yl)-5-methoxy-4,5-dihydro-1,2-oxazole 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-(4-bromonaphthalen-1-yl)-5-methoxy-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(4-bromonaphthalen-1-yl)-5-methoxy-4,5-dihydro-1,2-oxazole (CID 174491508) is 3-(4-bromonaphthalen-1-yl)-5-methoxy-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(4-bromonaphthalen-1-yl)-5-methoxy-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(4-bromonaphthalen-1-yl)-5-methoxy-4,5-dihydro-1,2-oxazole is COC1CC(c2ccc(Br)c3ccccc23)=NO1.
What is the InChIKey of 3-(4-bromonaphthalen-1-yl)-5-methoxy-4,5-dihydro-1,2-oxazole?
The InChIKey is ZCIFKVCFRILMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO2/c1-17-14-8-13(16-18-14)11-6-7-12(15)10-5-3-2-4-9(10)11/h2-7,14H,8H2,1H3.
What are the key properties of 3-(4-bromonaphthalen-1-yl)-5-methoxy-4,5-dihydro-1,2-oxazole?
3-(4-bromonaphthalen-1-yl)-5-methoxy-4,5-dihydro-1,2-oxazole has a molecular weight of 306.16 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromonaphthalen-1-yl)-5-methoxy-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 174491508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).