2-methyl-N-[[5-(2,4,6-trimethylphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine

C17H24N2O — CID 65184322

IUPAC2-methyl-N-[[5-(2,4,6-trimethylphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
SMILESCc1cc(C)c(-c2cnc(CNC(C)(C)C)o2)c(C)c1
InChIInChI=1S/C17H24N2O/c1-11-7-12(2)16(13(3)8-11)14-9-18-15(20-14)10-19-17(4,5)6/h7-9,19H,10H2,1-6H3
InChIKeyOWVPCHDSCIBDBG-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.15
Rot. Bonds3

About 2-methyl-N-[[5-(2,4,6-trimethylphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine

2-methyl-N-[[5-(2,4,6-trimethylphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine (PubChem CID 65184322) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-methyl-N-[[5-(2,4,6-trimethylphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(2,4,6-trimethylphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
PubChem CID65184322
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-methyl-N-[[5-(2,4,6-trimethylphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
SMILESCc1cc(C)c(-c2cnc(CNC(C)(C)C)o2)c(C)c1
InChIInChI=1S/C17H24N2O/c1-11-7-12(2)16(13(3)8-11)14-9-18-15(20-14)10-19-17(4,5)6/h7-9,19H,10H2,1-6H3
InChIKeyOWVPCHDSCIBDBG-UHFFFAOYSA-N
XLogP4.15
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[5-(4-methylthiophen-3-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 79807749
2-methyl-N-[[5-(2-methyl-1,3-thiazol-5-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 114031453
N-[[5-(5-chlorofuran-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine
CID 106690336
N-[[5-(3-iodophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine
CID 65183731
N-[[5-(5-ethylfuran-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine
CID 79084139
2-methyl-N-[[5-(2,3,4-trifluorophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 79755992
5-[(tert-butylamino)methyl]-N-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-amine
CID 106966186
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-2-amine
CID 65184221
N-[[5-(4-bromo-2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine
CID 65184324
N-[[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine
CID 65184219
2-methyl-N-[[5-(2-methylbutan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65184076
2-methyl-N-[[2-(2,4,6-trimethylphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 65288540

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(2,4,6-trimethylphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[5-(2,4,6-trimethylphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine (CID 65184322) is 2-methyl-N-[[5-(2,4,6-trimethylphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[5-(2,4,6-trimethylphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[5-(2,4,6-trimethylphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine is Cc1cc(C)c(-c2cnc(CNC(C)(C)C)o2)c(C)c1.
What is the InChIKey of 2-methyl-N-[[5-(2,4,6-trimethylphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine?
The InChIKey is OWVPCHDSCIBDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-11-7-12(2)16(13(3)8-11)14-9-18-15(20-14)10-19-17(4,5)6/h7-9,19H,10H2,1-6H3.
What are the key properties of 2-methyl-N-[[5-(2,4,6-trimethylphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine?
2-methyl-N-[[5-(2,4,6-trimethylphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine has a molecular weight of 272.39 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(2,4,6-trimethylphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 65184322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).