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

C10H10BrFN2O — CID 91483603

IUPAC3-(4-bromo-3-fluorophenyl)-N-methyl-2,5-dihydro-1,2-oxazol-5-amine
SMILESCNC1C=C(c2ccc(Br)c(F)c2)NO1
InChIInChI=1S/C10H10BrFN2O/c1-13-10-5-9(14-15-10)6-2-3-7(11)8(12)4-6/h2-5,10,13-14H,1H3
InChIKeyNZLZBRFTLRJBMW-UHFFFAOYSA-N
MW273.11 g/mol
LogP2.01
Rot. Bonds2

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

3-(4-bromo-3-fluorophenyl)-N-methyl-2,5-dihydro-1,2-oxazol-5-amine (PubChem CID 91483603) has the molecular formula C10H10BrFN2O and a molecular weight of 273.11 g/mol. Its IUPAC name is 3-(4-bromo-3-fluorophenyl)-N-methyl-2,5-dihydro-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(4-bromo-3-fluorophenyl)-N-methyl-2,5-dihydro-1,2-oxazol-5-amine
PubChem CID91483603
Molecular FormulaC10H10BrFN2O
Molecular Weight273.11 g/mol
Exact Mass272.00
IUPAC Name3-(4-bromo-3-fluorophenyl)-N-methyl-2,5-dihydro-1,2-oxazol-5-amine
SMILESCNC1C=C(c2ccc(Br)c(F)c2)NO1
InChIInChI=1S/C10H10BrFN2O/c1-13-10-5-9(14-15-10)6-2-3-7(11)8(12)4-6/h2-5,10,13-14H,1H3
InChIKeyNZLZBRFTLRJBMW-UHFFFAOYSA-N
XLogP2.01
TPSA33.29 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 ≤ 52.01
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]methanamine
CID 91287687
N-[[3-(4-bromo-3-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 91336488
N-[(4-bromo-2-fluorophenyl)methyl]-1-fluoro-1-(methylaminooxy)methanamine
CID 174365983
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
1-(4-bromo-2-fluorophenyl)-N-(2-methylpropoxy)methanamine
CID 82710968
1-(4-bromo-2-fluorophenyl)-N-(2-methylpropoxy)ethanamine
CID 82962819

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-fluorophenyl)-N-methyl-2,5-dihydro-1,2-oxazol-5-amine?
The IUPAC name of 3-(4-bromo-3-fluorophenyl)-N-methyl-2,5-dihydro-1,2-oxazol-5-amine (CID 91483603) is 3-(4-bromo-3-fluorophenyl)-N-methyl-2,5-dihydro-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(4-bromo-3-fluorophenyl)-N-methyl-2,5-dihydro-1,2-oxazol-5-amine?
The canonical SMILES for 3-(4-bromo-3-fluorophenyl)-N-methyl-2,5-dihydro-1,2-oxazol-5-amine is CNC1C=C(c2ccc(Br)c(F)c2)NO1.
What is the InChIKey of 3-(4-bromo-3-fluorophenyl)-N-methyl-2,5-dihydro-1,2-oxazol-5-amine?
The InChIKey is NZLZBRFTLRJBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN2O/c1-13-10-5-9(14-15-10)6-2-3-7(11)8(12)4-6/h2-5,10,13-14H,1H3.
What are the key properties of 3-(4-bromo-3-fluorophenyl)-N-methyl-2,5-dihydro-1,2-oxazol-5-amine?
3-(4-bromo-3-fluorophenyl)-N-methyl-2,5-dihydro-1,2-oxazol-5-amine has a molecular weight of 273.11 g/mol, XLogP of 2.01, 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)-N-methyl-2,5-dihydro-1,2-oxazol-5-amine is sourced from PubChem (CID 91483603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).