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

C16H22N2O3 — CID 79147968

IUPAC2-methoxy-N-[[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
SMILESCOCCNCc1ncoc1-c1cccc(OC(C)C)c1
InChIInChI=1S/C16H22N2O3/c1-12(2)21-14-6-4-5-13(9-14)16-15(18-11-20-16)10-17-7-8-19-3/h4-6,9,11-12,17H,7-8,10H2,1-3H3
InChIKeyOSXMJHJBPPALOQ-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.86
Rot. Bonds8

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

2-methoxy-N-[[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine (PubChem CID 79147968) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-methoxy-N-[[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
PubChem CID79147968
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-methoxy-N-[[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
SMILESCOCCNCc1ncoc1-c1cccc(OC(C)C)c1
InChIInChI=1S/C16H22N2O3/c1-12(2)21-14-6-4-5-13(9-14)16-15(18-11-20-16)10-17-7-8-19-3/h4-6,9,11-12,17H,7-8,10H2,1-3H3
InChIKeyOSXMJHJBPPALOQ-UHFFFAOYSA-N
XLogP2.86
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.86
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

2-methoxy-N-[[5-(3-propoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 79148073
N-[[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 79145659
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-(3-propoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 79145437
2-methoxy-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]ethanamine
CID 79144930
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-(2,5-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
N-[[5-(2-fluoro-5-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 79145692

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine (CID 79147968) is 2-methoxy-N-[[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine is COCCNCc1ncoc1-c1cccc(OC(C)C)c1.
What is the InChIKey of 2-methoxy-N-[[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine?
The InChIKey is OSXMJHJBPPALOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12(2)21-14-6-4-5-13(9-14)16-15(18-11-20-16)10-17-7-8-19-3/h4-6,9,11-12,17H,7-8,10H2,1-3H3.
What are the key properties of 2-methoxy-N-[[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine?
2-methoxy-N-[[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine has a molecular weight of 290.36 g/mol, XLogP of 2.86, 8 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-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 79147968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).