1-[5-(2,4-difluorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine

C11H10F2N2O — CID 79139255

IUPAC1-[5-(2,4-difluorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
SMILESCNCc1ncoc1-c1ccc(F)cc1F
InChIInChI=1S/C11H10F2N2O/c1-14-5-10-11(16-6-15-10)8-3-2-7(12)4-9(8)13/h2-4,6,14H,5H2,1H3
InChIKeyQRHPBGWAIQDJOM-UHFFFAOYSA-N
MW224.21 g/mol
LogP2.34
Rot. Bonds3

About 1-[5-(2,4-difluorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine

1-[5-(2,4-difluorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine (PubChem CID 79139255) has the molecular formula C11H10F2N2O and a molecular weight of 224.21 g/mol. Its IUPAC name is 1-[5-(2,4-difluorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(2,4-difluorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
PubChem CID79139255
Molecular FormulaC11H10F2N2O
Molecular Weight224.21 g/mol
Exact Mass224.08
IUPAC Name1-[5-(2,4-difluorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
SMILESCNCc1ncoc1-c1ccc(F)cc1F
InChIInChI=1S/C11H10F2N2O/c1-14-5-10-11(16-6-15-10)8-3-2-7(12)4-9(8)13/h2-4,6,14H,5H2,1H3
InChIKeyQRHPBGWAIQDJOM-UHFFFAOYSA-N
XLogP2.34
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(2-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
CID 81478617
N-[[5-(2,5-difluorophenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 79144702
N-[[5-(4-chloro-2-fluorophenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 79145835
N-[[5-(2,4-difluorophenyl)-1,3-oxazol-4-yl]methyl]-6-methoxypyridine-3-carboxamide
CID 167821447
1-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
CID 107952862
N-[[5-(5-fluoro-2-methylphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 79145836
N-[[5-(2-bromo-5-fluorophenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 79144790
N-methyl-1-[5-(2,4,6-trimethylphenyl)-1,3-oxazol-4-yl]methanamine
CID 79140400
2-[[5-(2,4-difluorophenyl)-1,3-oxazole-4-carbonyl]amino]ethylcarbamic acid
CID 19768842
N-[[5-(2,4-dichlorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 79145623
1-[5-(5-chlorofuran-2-yl)-1,3-oxazol-4-yl]-N-methylmethanamine
CID 106690764
N-methyl-1-[5-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methanamine
CID 79140225

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,4-difluorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(2,4-difluorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine (CID 79139255) is 1-[5-(2,4-difluorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(2,4-difluorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(2,4-difluorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine is CNCc1ncoc1-c1ccc(F)cc1F.
What is the InChIKey of 1-[5-(2,4-difluorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine?
The InChIKey is QRHPBGWAIQDJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O/c1-14-5-10-11(16-6-15-10)8-3-2-7(12)4-9(8)13/h2-4,6,14H,5H2,1H3.
What are the key properties of 1-[5-(2,4-difluorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine?
1-[5-(2,4-difluorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine has a molecular weight of 224.21 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,4-difluorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 79139255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).