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

C10H8BrFN2O — CID 116831868

IUPAC4-(5-bromo-2-fluorophenyl)-5-methyl-1,3-oxazol-2-amine
SMILESCc1oc(N)nc1-c1cc(Br)ccc1F
InChIInChI=1S/C10H8BrFN2O/c1-5-9(14-10(13)15-5)7-4-6(11)2-3-8(7)12/h2-4H,1H3,(H2,13,14)
InChIKeyKAUIVYOIVFOHCP-UHFFFAOYSA-N
MW271.09 g/mol
LogP3.13
Rot. Bonds1

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

4-(5-bromo-2-fluorophenyl)-5-methyl-1,3-oxazol-2-amine (PubChem CID 116831868) has the molecular formula C10H8BrFN2O and a molecular weight of 271.09 g/mol. Its IUPAC name is 4-(5-bromo-2-fluorophenyl)-5-methyl-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-(5-bromo-2-fluorophenyl)-5-methyl-1,3-oxazol-2-amine
PubChem CID116831868
Molecular FormulaC10H8BrFN2O
Molecular Weight271.09 g/mol
Exact Mass269.98
IUPAC Name4-(5-bromo-2-fluorophenyl)-5-methyl-1,3-oxazol-2-amine
SMILESCc1oc(N)nc1-c1cc(Br)ccc1F
InChIInChI=1S/C10H8BrFN2O/c1-5-9(14-10(13)15-5)7-4-6(11)2-3-8(7)12/h2-4H,1H3,(H2,13,14)
InChIKeyKAUIVYOIVFOHCP-UHFFFAOYSA-N
XLogP3.13
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.09
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(5-bromo-2-fluorophenyl)-2-ethyl-5-methylpyrimidin-4-amine
CID 80976858
6-(5-bromo-2-fluorophenyl)-2-methylpyrimidin-4-amine
CID 79742709
3-(5-bromo-2-fluorophenyl)-N-ethyl-5,6-dimethylpyrazin-2-amine
CID 79742894
4-(5-bromo-2-fluorophenyl)-6-chloro-2,5-dimethylpyrimidine
CID 79742433
3-(5-bromo-2-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43157955
6-bromo-2-(5-bromo-2-fluorophenyl)imidazo[1,2-a]pyridin-3-amine
CID 63617742
4-(5-tert-butyl-2-methylphenyl)-5-methyl-1,3-oxazol-2-amine
CID 116831798
3-(5-bromo-2-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-amine
CID 83205205
2-[2-(5-bromo-2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-amine
CID 116884518
2-(5-bromo-2-fluorophenyl)-5-methyl-1,3-benzoxazole
CID 69068751
1-[4-(5-bromo-2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanone
CID 116867527
3-(5-bromo-2-fluorophenyl)-5-methylaniline
CID 107579592

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-fluorophenyl)-5-methyl-1,3-oxazol-2-amine?
The IUPAC name of 4-(5-bromo-2-fluorophenyl)-5-methyl-1,3-oxazol-2-amine (CID 116831868) is 4-(5-bromo-2-fluorophenyl)-5-methyl-1,3-oxazol-2-amine.
What is the SMILES notation for 4-(5-bromo-2-fluorophenyl)-5-methyl-1,3-oxazol-2-amine?
The canonical SMILES for 4-(5-bromo-2-fluorophenyl)-5-methyl-1,3-oxazol-2-amine is Cc1oc(N)nc1-c1cc(Br)ccc1F.
What is the InChIKey of 4-(5-bromo-2-fluorophenyl)-5-methyl-1,3-oxazol-2-amine?
The InChIKey is KAUIVYOIVFOHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2O/c1-5-9(14-10(13)15-5)7-4-6(11)2-3-8(7)12/h2-4H,1H3,(H2,13,14).
What are the key properties of 4-(5-bromo-2-fluorophenyl)-5-methyl-1,3-oxazol-2-amine?
4-(5-bromo-2-fluorophenyl)-5-methyl-1,3-oxazol-2-amine has a molecular weight of 271.09 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-fluorophenyl)-5-methyl-1,3-oxazol-2-amine is sourced from PubChem (CID 116831868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).