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

C11H13N3O5 — CID 65292977

IUPAC2-methoxy-N-[[2-(5-nitrofuran-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine
SMILESCOCCNCc1coc(-c2ccc([N+](=O)[O-])o2)n1
InChIInChI=1S/C11H13N3O5/c1-17-5-4-12-6-8-7-18-11(13-8)9-2-3-10(19-9)14(15)16/h2-3,7,12H,4-6H2,1H3
InChIKeySEWIJIJPRCBHIC-UHFFFAOYSA-N
MW267.24 g/mol
LogP1.58
Rot. Bonds7

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

2-methoxy-N-[[2-(5-nitrofuran-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine (PubChem CID 65292977) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is 2-methoxy-N-[[2-(5-nitrofuran-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[2-(5-nitrofuran-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine
PubChem CID65292977
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name2-methoxy-N-[[2-(5-nitrofuran-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine
SMILESCOCCNCc1coc(-c2ccc([N+](=O)[O-])o2)n1
InChIInChI=1S/C11H13N3O5/c1-17-5-4-12-6-8-7-18-11(13-8)9-2-3-10(19-9)14(15)16/h2-3,7,12H,4-6H2,1H3
InChIKeySEWIJIJPRCBHIC-UHFFFAOYSA-N
XLogP1.58
TPSA103.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[2-(5-nitrofuran-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[2-(5-nitrofuran-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine (CID 65292977) is 2-methoxy-N-[[2-(5-nitrofuran-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[2-(5-nitrofuran-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[2-(5-nitrofuran-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine is COCCNCc1coc(-c2ccc([N+](=O)[O-])o2)n1.
What is the InChIKey of 2-methoxy-N-[[2-(5-nitrofuran-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine?
The InChIKey is SEWIJIJPRCBHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5/c1-17-5-4-12-6-8-7-18-11(13-8)9-2-3-10(19-9)14(15)16/h2-3,7,12H,4-6H2,1H3.
What are the key properties of 2-methoxy-N-[[2-(5-nitrofuran-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine?
2-methoxy-N-[[2-(5-nitrofuran-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine has a molecular weight of 267.24 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[2-(5-nitrofuran-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 65292977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).