2-methoxy-N-[[5-(3-propoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine

C16H22N2O3 — CID 79148073

IUPAC2-methoxy-N-[[5-(3-propoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
SMILESCCCOc1cccc(-c2ocnc2CNCCOC)c1
InChIInChI=1S/C16H22N2O3/c1-3-8-20-14-6-4-5-13(10-14)16-15(18-12-21-16)11-17-7-9-19-2/h4-6,10,12,17H,3,7-9,11H2,1-2H3
InChIKeyZYQDROKURFYEJO-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.87
Rot. Bonds9

About 2-methoxy-N-[[5-(3-propoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine

2-methoxy-N-[[5-(3-propoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine (PubChem CID 79148073) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-methoxy-N-[[5-(3-propoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[5-(3-propoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
PubChem CID79148073
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-methoxy-N-[[5-(3-propoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
SMILESCCCOc1cccc(-c2ocnc2CNCCOC)c1
InChIInChI=1S/C16H22N2O3/c1-3-8-20-14-6-4-5-13(10-14)16-15(18-12-21-16)11-17-7-9-19-2/h4-6,10,12,17H,3,7-9,11H2,1-2H3
InChIKeyZYQDROKURFYEJO-UHFFFAOYSA-N
XLogP2.87
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(3-propoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 79145437
2-methoxy-N-[[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 79147968
N-[[5-(3,5-dimethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 79148458
N-[[5-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 79148265
N-[[5-(4-bromo-3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 81308351
5-(3-propoxyphenyl)-1,3-oxazole-4-carboxylic acid
CID 62919017
2-methoxy-N-[[5-(2,4,6-trimethylphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 79145029
N-[[5-(3-chloro-2-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 81262930
N-[[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 79145594
N-[[5-(2,5-dibromophenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 114376386
N-[[5-(1-benzofuran-3-yl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 79144750
N-[[5-(2-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 106864643

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[5-(3-propoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[5-(3-propoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine (CID 79148073) is 2-methoxy-N-[[5-(3-propoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[5-(3-propoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[5-(3-propoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine is CCCOc1cccc(-c2ocnc2CNCCOC)c1.
What is the InChIKey of 2-methoxy-N-[[5-(3-propoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine?
The InChIKey is ZYQDROKURFYEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-8-20-14-6-4-5-13(10-14)16-15(18-12-21-16)11-17-7-9-19-2/h4-6,10,12,17H,3,7-9,11H2,1-2H3.
What are the key properties of 2-methoxy-N-[[5-(3-propoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine?
2-methoxy-N-[[5-(3-propoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine has a molecular weight of 290.36 g/mol, XLogP of 2.87, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[5-(3-propoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 79148073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).