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

C10H10BrFN2O — CID 91287687

IUPAC[3-(4-bromo-3-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine
SMILESNCC1C=C(c2ccc(Br)c(F)c2)NO1
InChIInChI=1S/C10H10BrFN2O/c11-8-2-1-6(3-9(8)12)10-4-7(5-13)15-14-10/h1-4,7,14H,5,13H2
InChIKeyYMRIGEMDOLKHRN-UHFFFAOYSA-N
MW273.11 g/mol
LogP1.79
Rot. Bonds2

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

[3-(4-bromo-3-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine (PubChem CID 91287687) has the molecular formula C10H10BrFN2O and a molecular weight of 273.11 g/mol. Its IUPAC name is [3-(4-bromo-3-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(4-bromo-3-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine
PubChem CID91287687
Molecular FormulaC10H10BrFN2O
Molecular Weight273.11 g/mol
Exact Mass272.00
IUPAC Name[3-(4-bromo-3-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine
SMILESNCC1C=C(c2ccc(Br)c(F)c2)NO1
InChIInChI=1S/C10H10BrFN2O/c11-8-2-1-6(3-9(8)12)10-4-7(5-13)15-14-10/h1-4,7,14H,5,13H2
InChIKeyYMRIGEMDOLKHRN-UHFFFAOYSA-N
XLogP1.79
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.11
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-fluorophenyl)-N-methoxyethenamine
CID 57308211
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]methanol
CID 91127610
[3-(4-Bromo-2-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 91216467
[3-(4-Fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine
CID 91220190
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
1-(4-bromo-2-fluorophenyl)-N-ethoxymethanamine
CID 60702464
1-(4-bromo-2-fluorophenyl)-N-methoxymethanamine
CID 60702615
1-(4-bromo-3-fluorophenyl)-N-methoxymethanamine
CID 79671108
1-(4-bromo-3-fluorophenyl)-N-ethoxymethanamine
CID 79671436
1-(4-bromo-3-fluorophenyl)-N-(2-methylpropoxy)methanamine
CID 82710451

Frequently Asked Questions

What is the IUPAC name of [3-(4-bromo-3-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine?
The IUPAC name of [3-(4-bromo-3-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine (CID 91287687) is [3-(4-bromo-3-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine.
What is the SMILES notation for [3-(4-bromo-3-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine?
The canonical SMILES for [3-(4-bromo-3-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine is NCC1C=C(c2ccc(Br)c(F)c2)NO1.
What is the InChIKey of [3-(4-bromo-3-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine?
The InChIKey is YMRIGEMDOLKHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN2O/c11-8-2-1-6(3-9(8)12)10-4-7(5-13)15-14-10/h1-4,7,14H,5,13H2.
What are the key properties of [3-(4-bromo-3-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine?
[3-(4-bromo-3-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine has a molecular weight of 273.11 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-bromo-3-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine is sourced from PubChem (CID 91287687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).