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

C15H16N2O3 — CID 65181372

IUPACN-[[5-(1-benzofuran-3-yl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ncc(-c2coc3ccccc23)o1
InChIInChI=1S/C15H16N2O3/c1-18-7-6-16-9-15-17-8-14(20-15)12-10-19-13-5-3-2-4-11(12)13/h2-5,8,10,16H,6-7,9H2,1H3
InChIKeyBZNVFOIYWWTJQP-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.82
Rot. Bonds6

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

N-[[5-(1-benzofuran-3-yl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine (PubChem CID 65181372) 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-2-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[5-(1-benzofuran-3-yl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine
PubChem CID65181372
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC NameN-[[5-(1-benzofuran-3-yl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ncc(-c2coc3ccccc23)o1
InChIInChI=1S/C15H16N2O3/c1-18-7-6-16-9-15-17-8-14(20-15)12-10-19-13-5-3-2-4-11(12)13/h2-5,8,10,16H,6-7,9H2,1H3
InChIKeyBZNVFOIYWWTJQP-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-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine
CID 65181215
N-[[5-(1-benzofuran-3-yl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 79144750
N-[[5-(2-fluoro-3-methylphenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine
CID 81478772
N-[[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine
CID 65181474
N-[[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine
CID 115370252
2-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 65181879
N-[[5-(3,5-dibromophenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine
CID 107975815
2-methoxy-N-[[5-(1-methylimidazol-4-yl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 107975816
2-methoxy-N-[[5-(3-nitrophenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 65181972
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methoxyethanamine
CID 60765583
2-[5-(2-chlorofuran-3-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
CID 106690357
5-(1-benzofuran-3-yl)-2-(1-chloroethyl)-1,3-oxazole
CID 65179468

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1-benzofuran-3-yl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[5-(1-benzofuran-3-yl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine (CID 65181372) is N-[[5-(1-benzofuran-3-yl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[5-(1-benzofuran-3-yl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[5-(1-benzofuran-3-yl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine is COCCNCc1ncc(-c2coc3ccccc23)o1.
What is the InChIKey of N-[[5-(1-benzofuran-3-yl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine?
The InChIKey is BZNVFOIYWWTJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-18-7-6-16-9-15-17-8-14(20-15)12-10-19-13-5-3-2-4-11(12)13/h2-5,8,10,16H,6-7,9H2,1H3.
What are the key properties of N-[[5-(1-benzofuran-3-yl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine?
N-[[5-(1-benzofuran-3-yl)-1,3-oxazol-2-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-2-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 65181372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).