[3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine

C10H11BrN2O — CID 57286034

IUPAC[3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine
SMILESNCC1C=C(c2ccc(Br)cc2)NO1
InChIInChI=1S/C10H11BrN2O/c11-8-3-1-7(2-4-8)10-5-9(6-12)14-13-10/h1-5,9,13H,6,12H2
InChIKeyMERXGVGSHQDCJU-UHFFFAOYSA-N
MW255.12 g/mol
LogP1.65
Rot. Bonds2

About [3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine

[3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine (PubChem CID 57286034) has the molecular formula C10H11BrN2O and a molecular weight of 255.12 g/mol. Its IUPAC name is [3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine
PubChem CID57286034
Molecular FormulaC10H11BrN2O
Molecular Weight255.12 g/mol
Exact Mass254.01
IUPAC Name[3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine
SMILESNCC1C=C(c2ccc(Br)cc2)NO1
InChIInChI=1S/C10H11BrN2O/c11-8-3-1-7(2-4-8)10-5-9(6-12)14-13-10/h1-5,9,13H,6,12H2
InChIKeyMERXGVGSHQDCJU-UHFFFAOYSA-N
XLogP1.65
TPSA47.28 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 ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Azidomethyl)-3-(4-bromo-3-fluorophenyl)-2,5-dihydro-1,2-oxazole
CID 91019015
[3-(4-Fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine
CID 91220190
[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
1-(4-bromo-3-fluorophenyl)-N-cyclopentyloxymethanamine
CID 83228518
1-(4-bromo-2-fluorophenyl)-N-cyclopentyloxymethanamine
CID 83229367
[3-(4-Bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 56982022
6-(2-Aminoethoxyamino)-6-(4-bromophenyl)hex-5-enenitrile
CID 56990404
1-(4-bromophenyl)-N-methoxyethenamine
CID 56995875
4-[[3-(4-Bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]morpholine
CID 57017588

Frequently Asked Questions

What is the IUPAC name of [3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine?
The IUPAC name of [3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine (CID 57286034) is [3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine.
What is the SMILES notation for [3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine?
The canonical SMILES for [3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine is NCC1C=C(c2ccc(Br)cc2)NO1.
What is the InChIKey of [3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine?
The InChIKey is MERXGVGSHQDCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O/c11-8-3-1-7(2-4-8)10-5-9(6-12)14-13-10/h1-5,9,13H,6,12H2.
What are the key properties of [3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine?
[3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine has a molecular weight of 255.12 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine is sourced from PubChem (CID 57286034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).