2-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine

C16H20N2O3 — CID 65182137

IUPAC2-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCCc1ncc(-c2ccc3c(c2)COC3)o1
InChIInChI=1S/C16H20N2O3/c1-19-7-6-17-5-4-16-18-9-15(21-16)12-2-3-13-10-20-11-14(13)8-12/h2-3,8-9,17H,4-7,10-11H2,1H3
InChIKeyLVVLCCLOAOQNEI-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.15
Rot. Bonds7

About 2-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine

2-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine (PubChem CID 65182137) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name2-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
PubChem CID65182137
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCCc1ncc(-c2ccc3c(c2)COC3)o1
InChIInChI=1S/C16H20N2O3/c1-19-7-6-17-5-4-16-18-9-15(21-16)12-2-3-13-10-20-11-14(13)8-12/h2-3,8-9,17H,4-7,10-11H2,1H3
InChIKeyLVVLCCLOAOQNEI-UHFFFAOYSA-N
XLogP2.15
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.15
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-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
CID 107952761
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
CID 65182714
3-[5-(3-bromo-4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine
CID 81475753
2-[5-(5-chlorofuran-2-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
CID 106690356
2-[5-(3-bromo-5-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
CID 107941918
3-[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine
CID 65185146
2-[5-(2,5-difluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
CID 65182376
2-[5-(2-chlorofuran-3-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
CID 106690357
3-[5-(furan-3-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine
CID 65184897
2-[5-(5-chlorothiophen-2-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
CID 65182090
2-[5-(5-bromo-2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
CID 65182663
N-[2-[5-(3-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65183109

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine?
The IUPAC name of 2-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine (CID 65182137) is 2-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for 2-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for 2-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine is COCCNCCc1ncc(-c2ccc3c(c2)COC3)o1.
What is the InChIKey of 2-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine?
The InChIKey is LVVLCCLOAOQNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-19-7-6-17-5-4-16-18-9-15(21-16)12-2-3-13-10-20-11-14(13)8-12/h2-3,8-9,17H,4-7,10-11H2,1H3.
What are the key properties of 2-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine?
2-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine has a molecular weight of 288.35 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 65182137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).