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

C16H22N2O2 — CID 62443630

IUPACN-[[5-(1-phenylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(COC(C)c2ccccc2)on1
InChIInChI=1S/C16H22N2O2/c1-3-9-17-11-15-10-16(20-18-15)12-19-13(2)14-7-5-4-6-8-14/h4-8,10,13,17H,3,9,11-12H2,1-2H3
InChIKeyAVVFRRMJYRWMEY-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.45
Rot. Bonds8

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

N-[[5-(1-phenylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine (PubChem CID 62443630) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[[5-(1-phenylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(1-phenylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
PubChem CID62443630
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[[5-(1-phenylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(COC(C)c2ccccc2)on1
InChIInChI=1S/C16H22N2O2/c1-3-9-17-11-15-10-16(20-18-15)12-19-13(2)14-7-5-4-6-8-14/h4-8,10,13,17H,3,9,11-12H2,1-2H3
InChIKeyAVVFRRMJYRWMEY-UHFFFAOYSA-N
XLogP3.45
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[[5-(1-phenylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62444006
N-[[5-(3-phenylpropoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62484369
N-[[5-[(2,3,6-trimethylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62484979
5-(1-phenylethoxymethyl)-1,2-oxazole-3-carboxylic acid
CID 61397458
N-[[5-(2,2-difluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 82007011
N-[2-(1-phenylethoxy)ethyl]propan-1-amine
CID 62444581
N-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62459222
N-[[5-(prop-2-enoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62442650
N-[[5-(pentoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 55077772
N-[[5-[(4-propylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62548925
2-methyl-N-[[5-(propan-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62455406
N,N,2-trimethyl-1-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methoxy]propan-2-amine
CID 79679045

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1-phenylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(1-phenylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine (CID 62443630) is N-[[5-(1-phenylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(1-phenylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(1-phenylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine is CCCNCc1cc(COC(C)c2ccccc2)on1.
What is the InChIKey of N-[[5-(1-phenylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine?
The InChIKey is AVVFRRMJYRWMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-9-17-11-15-10-16(20-18-15)12-19-13(2)14-7-5-4-6-8-14/h4-8,10,13,17H,3,9,11-12H2,1-2H3.
What are the key properties of N-[[5-(1-phenylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine?
N-[[5-(1-phenylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine has a molecular weight of 274.36 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1-phenylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62443630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).