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

C10H8BrFN2O — CID 107952860

IUPAC[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-4-yl]methanamine
SMILESNCc1ncoc1-c1ccc(F)c(Br)c1
InChIInChI=1S/C10H8BrFN2O/c11-7-3-6(1-2-8(7)12)10-9(4-13)14-5-15-10/h1-3,5H,4,13H2
InChIKeyHEHWTFILYCETCK-UHFFFAOYSA-N
MW271.09 g/mol
LogP2.70
Rot. Bonds2

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

[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-4-yl]methanamine (PubChem CID 107952860) has the molecular formula C10H8BrFN2O and a molecular weight of 271.09 g/mol. Its IUPAC name is [5-(3-bromo-4-fluorophenyl)-1,3-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-4-yl]methanamine
PubChem CID107952860
Molecular FormulaC10H8BrFN2O
Molecular Weight271.09 g/mol
Exact Mass269.98
IUPAC Name[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-4-yl]methanamine
SMILESNCc1ncoc1-c1ccc(F)c(Br)c1
InChIInChI=1S/C10H8BrFN2O/c11-7-3-6(1-2-8(7)12)10-9(4-13)14-5-15-10/h1-3,5H,4,13H2
InChIKeyHEHWTFILYCETCK-UHFFFAOYSA-N
XLogP2.70
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.09
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(4-bromo-3-fluorophenyl)-1,3-oxazol-4-yl]methanamine
CID 79139421
1-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
CID 107952862
[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-4-yl]methanamine
CID 79139844
[5-(3,5-dichlorophenyl)-1,3-oxazol-4-yl]methanamine
CID 79139040
[5-(3-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methanamine
CID 79139840
4-(3-bromo-4-fluorophenyl)-5-methyl-1,3-oxazole
CID 115047663
[2-(3-bromo-4-fluorophenyl)pyrimidin-5-yl]methanamine
CID 82802967
[5-(2-bromo-5-methylphenyl)-1,3-oxazol-4-yl]methanamine
CID 81117951
N-[[5-(4-bromo-3-fluorophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 79146129
[5-(2,5-dichlorophenyl)-1,3-oxazol-4-yl]methanamine
CID 79140024
[5-(4-butoxyphenyl)-1,3-oxazol-4-yl]methanamine
CID 79139143
[5-(2-chloro-6-fluorophenyl)-1,3-oxazol-4-yl]methanamine
CID 79139055

Frequently Asked Questions

What is the IUPAC name of [5-(3-bromo-4-fluorophenyl)-1,3-oxazol-4-yl]methanamine?
The IUPAC name of [5-(3-bromo-4-fluorophenyl)-1,3-oxazol-4-yl]methanamine (CID 107952860) is [5-(3-bromo-4-fluorophenyl)-1,3-oxazol-4-yl]methanamine.
What is the SMILES notation for [5-(3-bromo-4-fluorophenyl)-1,3-oxazol-4-yl]methanamine?
The canonical SMILES for [5-(3-bromo-4-fluorophenyl)-1,3-oxazol-4-yl]methanamine is NCc1ncoc1-c1ccc(F)c(Br)c1.
What is the InChIKey of [5-(3-bromo-4-fluorophenyl)-1,3-oxazol-4-yl]methanamine?
The InChIKey is HEHWTFILYCETCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2O/c11-7-3-6(1-2-8(7)12)10-9(4-13)14-5-15-10/h1-3,5H,4,13H2.
What are the key properties of [5-(3-bromo-4-fluorophenyl)-1,3-oxazol-4-yl]methanamine?
[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-4-yl]methanamine has a molecular weight of 271.09 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-bromo-4-fluorophenyl)-1,3-oxazol-4-yl]methanamine is sourced from PubChem (CID 107952860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).