N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(2,4,5-trimethylphenyl)methanamine

C16H22N2O — CID 104889459

IUPACN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(2,4,5-trimethylphenyl)methanamine
SMILESCCc1cnc(CNCc2cc(C)c(C)cc2C)o1
InChIInChI=1S/C16H22N2O/c1-5-15-9-18-16(19-15)10-17-8-14-7-12(3)11(2)6-13(14)4/h6-7,9,17H,5,8,10H2,1-4H3
InChIKeyZYGRURKLBGPRJF-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.45
Rot. Bonds5

About N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(2,4,5-trimethylphenyl)methanamine

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(2,4,5-trimethylphenyl)methanamine (PubChem CID 104889459) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(2,4,5-trimethylphenyl)methanamine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(2,4,5-trimethylphenyl)methanamine
PubChem CID104889459
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(2,4,5-trimethylphenyl)methanamine
SMILESCCc1cnc(CNCc2cc(C)c(C)cc2C)o1
InChIInChI=1S/C16H22N2O/c1-5-15-9-18-16(19-15)10-17-8-14-7-12(3)11(2)6-13(14)4/h6-7,9,17H,5,8,10H2,1-4H3
InChIKeyZYGRURKLBGPRJF-UHFFFAOYSA-N
XLogP3.45
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(2,4,5-trimethylphenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-[(5-ethyl-1,3-oxazol-2-yl)methylamino]propan-2-ol
CID 106371562
1-(3-ethyl-1-methylpyrazol-4-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103096743
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]butan-1-amine
CID 106369292
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 103275184
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 113246429
1-(3,5-dibromo-2-methoxyphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275317
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-difluoroethanamine
CID 106371339
3-chloro-4-[[(5-ethyl-1,3-oxazol-2-yl)methylamino]methyl]benzonitrile
CID 106371451
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-trimethylsilylphenyl)methanamine
CID 106371023
1-(3,4-difluorophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275334
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(2-methoxy-5-nitrophenyl)methanamine
CID 106371637
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-methyl-3-nitrophenyl)methanamine
CID 103275097

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(2,4,5-trimethylphenyl)methanamine?
The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(2,4,5-trimethylphenyl)methanamine (CID 104889459) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(2,4,5-trimethylphenyl)methanamine.
What is the SMILES notation for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(2,4,5-trimethylphenyl)methanamine?
The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(2,4,5-trimethylphenyl)methanamine is CCc1cnc(CNCc2cc(C)c(C)cc2C)o1.
What is the InChIKey of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(2,4,5-trimethylphenyl)methanamine?
The InChIKey is ZYGRURKLBGPRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-5-15-9-18-16(19-15)10-17-8-14-7-12(3)11(2)6-13(14)4/h6-7,9,17H,5,8,10H2,1-4H3.
What are the key properties of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(2,4,5-trimethylphenyl)methanamine?
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(2,4,5-trimethylphenyl)methanamine has a molecular weight of 258.36 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(2,4,5-trimethylphenyl)methanamine is sourced from PubChem (CID 104889459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).