3-(4-bromophenyl)-N-methyl-2,5-dihydro-1,2-oxazol-5-amine

C10H11BrN2O — CID 91530660

IUPAC3-(4-bromophenyl)-N-methyl-2,5-dihydro-1,2-oxazol-5-amine
SMILESCNC1C=C(c2ccc(Br)cc2)NO1
InChIInChI=1S/C10H11BrN2O/c1-12-10-6-9(13-14-10)7-2-4-8(11)5-3-7/h2-6,10,12-13H,1H3
InChIKeyAHPDBYAPVSSYHG-UHFFFAOYSA-N
MW255.12 g/mol
LogP1.87
Rot. Bonds2

About 3-(4-bromophenyl)-N-methyl-2,5-dihydro-1,2-oxazol-5-amine

3-(4-bromophenyl)-N-methyl-2,5-dihydro-1,2-oxazol-5-amine (PubChem CID 91530660) has the molecular formula C10H11BrN2O and a molecular weight of 255.12 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-methyl-2,5-dihydro-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-methyl-2,5-dihydro-1,2-oxazol-5-amine
PubChem CID91530660
Molecular FormulaC10H11BrN2O
Molecular Weight255.12 g/mol
Exact Mass254.01
IUPAC Name3-(4-bromophenyl)-N-methyl-2,5-dihydro-1,2-oxazol-5-amine
SMILESCNC1C=C(c2ccc(Br)cc2)NO1
InChIInChI=1S/C10H11BrN2O/c1-12-10-6-9(13-14-10)7-2-4-8(11)5-3-7/h2-6,10,12-13H,1H3
InChIKeyAHPDBYAPVSSYHG-UHFFFAOYSA-N
XLogP1.87
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.12
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(4-bromophenyl)-N-methyl-2,5-dihydro-1,2-oxazol-5-amine 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

5-(Azidomethyl)-3-(4-bromo-3-fluorophenyl)-2,5-dihydro-1,2-oxazole
CID 91019015
[3-(4-Bromo-3-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine
CID 91287687
N-[[3-(4-bromo-3-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 91336488
3-(4-bromo-3-fluorophenyl)-N-methyl-2,5-dihydro-1,2-oxazol-5-amine
CID 91483603
(S)-N-(1-(4-bromophenyl)ethyl)-O-ethylhydroxylamine
CID 163358813
6-(4-Bromophenyl)-2-ethoxy-1,2,3,4-tetrahydropyridine
CID 18421621
6-(2-Aminoethoxyamino)-6-(4-bromophenyl)hex-5-enenitrile
CID 56990404
1-(4-bromophenyl)-N-methoxyethenamine
CID 56995875
3-(2-Bromophenyl)-2,5-dihydro-1,2-oxazole
CID 57022367
3-(3-Bromophenyl)-2,5-dihydro-1,2-oxazole
CID 57092526
N-[[3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 57226665
3-(4-Bromophenyl)-5-(isothiocyanatomethyl)-2,5-dihydro-1,2-oxazole
CID 57234817

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-methyl-2,5-dihydro-1,2-oxazol-5-amine?
The IUPAC name of 3-(4-bromophenyl)-N-methyl-2,5-dihydro-1,2-oxazol-5-amine (CID 91530660) is 3-(4-bromophenyl)-N-methyl-2,5-dihydro-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(4-bromophenyl)-N-methyl-2,5-dihydro-1,2-oxazol-5-amine?
The canonical SMILES for 3-(4-bromophenyl)-N-methyl-2,5-dihydro-1,2-oxazol-5-amine is CNC1C=C(c2ccc(Br)cc2)NO1.
What is the InChIKey of 3-(4-bromophenyl)-N-methyl-2,5-dihydro-1,2-oxazol-5-amine?
The InChIKey is AHPDBYAPVSSYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O/c1-12-10-6-9(13-14-10)7-2-4-8(11)5-3-7/h2-6,10,12-13H,1H3.
What are the key properties of 3-(4-bromophenyl)-N-methyl-2,5-dihydro-1,2-oxazol-5-amine?
3-(4-bromophenyl)-N-methyl-2,5-dihydro-1,2-oxazol-5-amine has a molecular weight of 255.12 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-N-methyl-2,5-dihydro-1,2-oxazol-5-amine is sourced from PubChem (CID 91530660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).