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

C13H14BrFN2O — CID 103275102

IUPAC1-(2-bromo-4-fluorophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCCc1cnc(CNCc2ccc(F)cc2Br)o1
InChIInChI=1S/C13H14BrFN2O/c1-2-11-7-17-13(18-11)8-16-6-9-3-4-10(15)5-12(9)14/h3-5,7,16H,2,6,8H2,1H3
InChIKeyGNAFBRIMKSRKQV-UHFFFAOYSA-N
MW313.17 g/mol
LogP3.43
Rot. Bonds5

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

1-(2-bromo-4-fluorophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine (PubChem CID 103275102) has the molecular formula C13H14BrFN2O and a molecular weight of 313.17 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
PubChem CID103275102
Molecular FormulaC13H14BrFN2O
Molecular Weight313.17 g/mol
Exact Mass312.03
IUPAC Name1-(2-bromo-4-fluorophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCCc1cnc(CNCc2ccc(F)cc2Br)o1
InChIInChI=1S/C13H14BrFN2O/c1-2-11-7-17-13(18-11)8-16-6-9-3-4-10(15)5-12(9)14/h3-5,7,16H,2,6,8H2,1H3
InChIKeyGNAFBRIMKSRKQV-UHFFFAOYSA-N
XLogP3.43
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.17
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine (CID 103275102) is 1-(2-bromo-4-fluorophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine is CCc1cnc(CNCc2ccc(F)cc2Br)o1.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine?
The InChIKey is GNAFBRIMKSRKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2O/c1-2-11-7-17-13(18-11)8-16-6-9-3-4-10(15)5-12(9)14/h3-5,7,16H,2,6,8H2,1H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine?
1-(2-bromo-4-fluorophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine has a molecular weight of 313.17 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine is sourced from PubChem (CID 103275102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).