3-fluoro-N-methyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]aniline

C15H20FN3O — CID 62461087

IUPAC3-fluoro-N-methyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]aniline
SMILESCCCNCc1cc(CN(C)c2cccc(F)c2)on1
InChIInChI=1S/C15H20FN3O/c1-3-7-17-10-13-9-15(20-18-13)11-19(2)14-6-4-5-12(16)8-14/h4-6,8-9,17H,3,7,10-11H2,1-2H3
InChIKeyQSARCGUETJKUMN-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.95
Rot. Bonds7

About 3-fluoro-N-methyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]aniline

3-fluoro-N-methyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]aniline (PubChem CID 62461087) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 3-fluoro-N-methyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]aniline.

Molecular Properties

Compound Name3-fluoro-N-methyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]aniline
PubChem CID62461087
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name3-fluoro-N-methyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]aniline
SMILESCCCNCc1cc(CN(C)c2cccc(F)c2)on1
InChIInChI=1S/C15H20FN3O/c1-3-7-17-10-13-9-15(20-18-13)11-19(2)14-6-4-5-12(16)8-14/h4-6,8-9,17H,3,7,10-11H2,1-2H3
InChIKeyQSARCGUETJKUMN-UHFFFAOYSA-N
XLogP2.95
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62459222
3-fluoro-N-methyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]aniline
CID 107556467
N-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62463601
N-methyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]pentan-3-amine
CID 62431740
N-[[5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62426085
N,3-dimethyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]cyclohexan-1-amine
CID 62429692
N-[[5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62463826
3-fluoro-N-methyl-N-[[5-(methylaminomethyl)furan-2-yl]methyl]aniline
CID 62435483
N-[[5-[[bis(2-methoxyethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62462478
N,N-dimethyl-N'-(2-methylpropyl)-N'-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]ethane-1,2-diamine
CID 62426996
N-[[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 63026882
2-fluoro-N-(3-fluorophenyl)-N-methyl-4-(propylaminomethyl)aniline
CID 63551967

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]aniline?
The IUPAC name of 3-fluoro-N-methyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]aniline (CID 62461087) is 3-fluoro-N-methyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]aniline.
What is the SMILES notation for 3-fluoro-N-methyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]aniline?
The canonical SMILES for 3-fluoro-N-methyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]aniline is CCCNCc1cc(CN(C)c2cccc(F)c2)on1.
What is the InChIKey of 3-fluoro-N-methyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]aniline?
The InChIKey is QSARCGUETJKUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-3-7-17-10-13-9-15(20-18-13)11-19(2)14-6-4-5-12(16)8-14/h4-6,8-9,17H,3,7,10-11H2,1-2H3.
What are the key properties of 3-fluoro-N-methyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]aniline?
3-fluoro-N-methyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]aniline has a molecular weight of 277.34 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]aniline is sourced from PubChem (CID 62461087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).