N-[[5-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine

C16H22N2O — CID 65181259

IUPACN-[[5-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCc1ccc(-c2cnc(CNCC(C)C)o2)c(C)c1
InChIInChI=1S/C16H22N2O/c1-11(2)8-17-10-16-18-9-15(19-16)14-6-5-12(3)7-13(14)4/h5-7,9,11,17H,8,10H2,1-4H3
InChIKeyIIEKDLVKEOVFMP-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.70
Rot. Bonds5

About N-[[5-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine

N-[[5-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 65181259) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is N-[[5-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID65181259
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC NameN-[[5-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCc1ccc(-c2cnc(CNCC(C)C)o2)c(C)c1
InChIInChI=1S/C16H22N2O/c1-11(2)8-17-10-16-18-9-15(19-16)14-6-5-12(3)7-13(14)4/h5-7,9,11,17H,8,10H2,1-4H3
InChIKeyIIEKDLVKEOVFMP-UHFFFAOYSA-N
XLogP3.70
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(2-bromo-4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 107994699
N-[[5-(5-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 65181816
2-methyl-N-[[5-(2-methyl-5-nitrophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 65181462
N-[[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 82818536
N-[[5-(2-bromo-5-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 65181456
N-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 65181360
N-[[5-(4-fluoro-2-methylphenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 113400409
N-[[5-(2,3-dichlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 65181406
N-[[5-(2-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 81461243
2-methyl-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 65181413
2-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]propan-1-amine
CID 65184178
1-[5-(4-bromo-2-methylphenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 65179261

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine (CID 65181259) is N-[[5-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine is Cc1ccc(-c2cnc(CNCC(C)C)o2)c(C)c1.
What is the InChIKey of N-[[5-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is IIEKDLVKEOVFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11(2)8-17-10-16-18-9-15(19-16)14-6-5-12(3)7-13(14)4/h5-7,9,11,17H,8,10H2,1-4H3.
What are the key properties of N-[[5-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine?
N-[[5-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 258.37 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 65181259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).