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

C17H24N2O2 — CID 62444006

IUPAC2-methyl-N-[[5-(1-phenylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1cc(COC(C)c2ccccc2)on1
InChIInChI=1S/C17H24N2O2/c1-13(2)10-18-11-16-9-17(21-19-16)12-20-14(3)15-7-5-4-6-8-15/h4-9,13-14,18H,10-12H2,1-3H3
InChIKeyVHEKUBFNQZPILG-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.70
Rot. Bonds8

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

2-methyl-N-[[5-(1-phenylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine (PubChem CID 62444006) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-methyl-N-[[5-(1-phenylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(1-phenylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
PubChem CID62444006
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-methyl-N-[[5-(1-phenylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1cc(COC(C)c2ccccc2)on1
InChIInChI=1S/C17H24N2O2/c1-13(2)10-18-11-16-9-17(21-19-16)12-20-14(3)15-7-5-4-6-8-15/h4-9,13-14,18H,10-12H2,1-3H3
InChIKeyVHEKUBFNQZPILG-UHFFFAOYSA-N
XLogP3.70
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[[5-(1-phenylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine 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

N-[[5-(1-phenylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62443630
2-methyl-N-[[5-(propan-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62455406
2-methyl-N-[[5-(1-phenylethoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 62443435
5-(1-phenylethoxymethyl)-1,2-oxazole-3-carboxylic acid
CID 61397458
N-[[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
CID 62450542
N-[[5-[(3-chlorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
CID 62460276
2-methyl-N-[[5-(4-methylpentoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62457761
2-methyl-N-[[5-(octoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62455149
N-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
CID 62417450
2-methyl-N-[[4-(1-phenylethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62290876
2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-1-amine
CID 60686114
N-[[5-(azocan-1-ylmethyl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
CID 62419803

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(1-phenylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[5-(1-phenylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine (CID 62444006) is 2-methyl-N-[[5-(1-phenylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[5-(1-phenylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[5-(1-phenylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine is CC(C)CNCc1cc(COC(C)c2ccccc2)on1.
What is the InChIKey of 2-methyl-N-[[5-(1-phenylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine?
The InChIKey is VHEKUBFNQZPILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13(2)10-18-11-16-9-17(21-19-16)12-20-14(3)15-7-5-4-6-8-15/h4-9,13-14,18H,10-12H2,1-3H3.
What are the key properties of 2-methyl-N-[[5-(1-phenylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine?
2-methyl-N-[[5-(1-phenylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine has a molecular weight of 288.39 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(1-phenylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62444006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).