N-[[5-(1-benzofuran-3-yl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine

C15H16N2O3 — CID 79144750

IUPACN-[[5-(1-benzofuran-3-yl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ncoc1-c1coc2ccccc12
InChIInChI=1S/C15H16N2O3/c1-18-7-6-16-8-13-15(20-10-17-13)12-9-19-14-5-3-2-4-11(12)14/h2-5,9-10,16H,6-8H2,1H3
InChIKeyPHWWRNHGDGPEQU-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.82
Rot. Bonds6

About N-[[5-(1-benzofuran-3-yl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine

N-[[5-(1-benzofuran-3-yl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine (PubChem CID 79144750) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is N-[[5-(1-benzofuran-3-yl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[5-(1-benzofuran-3-yl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
PubChem CID79144750
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC NameN-[[5-(1-benzofuran-3-yl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ncoc1-c1coc2ccccc12
InChIInChI=1S/C15H16N2O3/c1-18-7-6-16-8-13-15(20-10-17-13)12-9-19-14-5-3-2-4-11(12)14/h2-5,9-10,16H,6-8H2,1H3
InChIKeyPHWWRNHGDGPEQU-UHFFFAOYSA-N
XLogP2.82
TPSA60.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.82
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-(1-benzofuran-3-yl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine
CID 65181372
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-(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
N-[[5-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 79148265
N-[[5-(3,5-dimethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 79148458
2-methoxy-N-[[5-(2,4,6-trimethylphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 79145029
N-[[5-(3-chlorothiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 80642183
2-methoxy-N-[[5-(3-methoxythiophen-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 81139424
2-methoxy-N-[[5-(3-propoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 79148073
2-methoxy-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]ethanamine
CID 79144930

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1-benzofuran-3-yl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[5-(1-benzofuran-3-yl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine (CID 79144750) is N-[[5-(1-benzofuran-3-yl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[5-(1-benzofuran-3-yl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[5-(1-benzofuran-3-yl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine is COCCNCc1ncoc1-c1coc2ccccc12.
What is the InChIKey of N-[[5-(1-benzofuran-3-yl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine?
The InChIKey is PHWWRNHGDGPEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-18-7-6-16-8-13-15(20-10-17-13)12-9-19-14-5-3-2-4-11(12)14/h2-5,9-10,16H,6-8H2,1H3.
What are the key properties of N-[[5-(1-benzofuran-3-yl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine?
N-[[5-(1-benzofuran-3-yl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine has a molecular weight of 272.30 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1-benzofuran-3-yl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 79144750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).