N-[[2-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine

C15H19FN2O2 — CID 102885630

IUPACN-[[2-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCOc1ccc(-c2nc(CNC(C)(C)C)co2)c(F)c1
InChIInChI=1S/C15H19FN2O2/c1-15(2,3)17-8-10-9-20-14(18-10)12-6-5-11(19-4)7-13(12)16/h5-7,9,17H,8H2,1-4H3
InChIKeyZSPMRTYZTBMORE-UHFFFAOYSA-N
MW278.33 g/mol
LogP3.38
Rot. Bonds4

About N-[[2-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine

N-[[2-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 102885630) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is N-[[2-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID102885630
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC NameN-[[2-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCOc1ccc(-c2nc(CNC(C)(C)C)co2)c(F)c1
InChIInChI=1S/C15H19FN2O2/c1-15(2,3)17-8-10-9-20-14(18-10)12-6-5-11(19-4)7-13(12)16/h5-7,9,17H,8H2,1-4H3
InChIKeyZSPMRTYZTBMORE-UHFFFAOYSA-N
XLogP3.38
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 102885629
N-[[2-[4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
CID 65288202
N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
CID 65288493
N-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
CID 60682858
N-[2-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 102885570
N-[[2-(2,5-dimethoxyphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 65288580
2-methyl-N-[[2-(2,4,6-trimethylphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 65288540
N-[[2-(4-bromo-2-fluorophenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 65288428
N-[[2-(3-bromo-4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
CID 81488835
N-[[2-(4-bromo-3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
CID 81307864
4-methoxy-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]aniline
CID 56672873
N-[[2-(3-bromothiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
CID 65287912

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine (CID 102885630) is N-[[2-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine is COc1ccc(-c2nc(CNC(C)(C)C)co2)c(F)c1.
What is the InChIKey of N-[[2-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is ZSPMRTYZTBMORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-15(2,3)17-8-10-9-20-14(18-10)12-6-5-11(19-4)7-13(12)16/h5-7,9,17H,8H2,1-4H3.
What are the key properties of N-[[2-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[2-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 278.33 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 102885630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).