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

C11H10BrFN2O — CID 107952862

IUPAC1-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
SMILESCNCc1ncoc1-c1ccc(F)c(Br)c1
InChIInChI=1S/C11H10BrFN2O/c1-14-5-10-11(16-6-15-10)7-2-3-9(13)8(12)4-7/h2-4,6,14H,5H2,1H3
InChIKeyPBCOFATTYLGZFJ-UHFFFAOYSA-N
MW285.12 g/mol
LogP2.96
Rot. Bonds3

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

1-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine (PubChem CID 107952862) has the molecular formula C11H10BrFN2O and a molecular weight of 285.12 g/mol. Its IUPAC name is 1-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
PubChem CID107952862
Molecular FormulaC11H10BrFN2O
Molecular Weight285.12 g/mol
Exact Mass284.00
IUPAC Name1-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
SMILESCNCc1ncoc1-c1ccc(F)c(Br)c1
InChIInChI=1S/C11H10BrFN2O/c1-14-5-10-11(16-6-15-10)7-2-3-9(13)8(12)4-7/h2-4,6,14H,5H2,1H3
InChIKeyPBCOFATTYLGZFJ-UHFFFAOYSA-N
XLogP2.96
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.12
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-4-yl]methanamine
CID 107952860
1-[5-(2,4-difluorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
CID 79139255
N-[[5-(4-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
CID 79145569
N-[[5-(4-bromo-3-fluorophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 79146129
[5-(4-bromo-3-fluorophenyl)-1,3-oxazol-4-yl]methanamine
CID 79139421
1-[2-(3-bromo-4-fluorophenyl)pyrimidin-5-yl]-N-methylmethanamine
CID 82802968
N,N-dimethyl-3-[4-(methylaminomethyl)-1,3-oxazol-5-yl]aniline
CID 79139650
4-(3-bromo-4-fluorophenyl)-5-methyl-1,3-oxazole
CID 115047663
1-[5-(2-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
CID 81478617
N-[[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 115354652
N-[[5-(4-bromo-3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 81308351
N-methyl-1-[5-(2,4,6-trimethylphenyl)-1,3-oxazol-4-yl]methanamine
CID 79140400

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine (CID 107952862) is 1-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine is CNCc1ncoc1-c1ccc(F)c(Br)c1.
What is the InChIKey of 1-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine?
The InChIKey is PBCOFATTYLGZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2O/c1-14-5-10-11(16-6-15-10)7-2-3-9(13)8(12)4-7/h2-4,6,14H,5H2,1H3.
What are the key properties of 1-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine?
1-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine has a molecular weight of 285.12 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 107952862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).