2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,3-benzoxazole

C13H8N2O4 — CID 14738165

IUPAC2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,3-benzoxazole
SMILESO=[N+]([O-])c1ccc(/C=C/c2nc3ccccc3o2)o1
InChIInChI=1S/C13H8N2O4/c16-15(17)13-8-6-9(18-13)5-7-12-14-10-3-1-2-4-11(10)19-12/h1-8H/b7-5+
InChIKeyMOEPZRYDYMGRJY-FNORWQNLSA-N
MW256.22 g/mol
LogP3.50
Rot. Bonds3

About 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,3-benzoxazole

2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,3-benzoxazole (PubChem CID 14738165) has the molecular formula C13H8N2O4 and a molecular weight of 256.22 g/mol. Its IUPAC name is 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,3-benzoxazole
PubChem CID14738165
Molecular FormulaC13H8N2O4
Molecular Weight256.22 g/mol
Exact Mass256.05
IUPAC Name2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,3-benzoxazole
SMILESO=[N+]([O-])c1ccc(/C=C/c2nc3ccccc3o2)o1
InChIInChI=1S/C13H8N2O4/c16-15(17)13-8-6-9(18-13)5-7-12-14-10-3-1-2-4-11(10)19-12/h1-8H/b7-5+
InChIKeyMOEPZRYDYMGRJY-FNORWQNLSA-N
XLogP3.50
TPSA82.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(Z)-2-[5-(3-nitrophenyl)furan-2-yl]ethenyl]-1,3-benzoxazole
CID 92912198
2-[(E)-2-(4-nitrophenyl)ethenyl]-1,3-benzoxazole
CID 5377707
2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]phenanthro[9,10-d][1,3]oxazole
CID 177256679
2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoxaline
CID 5376326
(E)-2-(1,3-benzoxazol-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enenitrile
CID 25111457
2-[(1E,3E)-4-(5-nitrofuran-2-yl)buta-1,3-dienyl]quinoline
CID 6445032
2-[(Z)-2-bromoethenyl]-5-nitrofuran
CID 6081936
2-[2-[3,5,6-tris[2-(1,3-benzoxazol-2-yl)ethenyl]pyrazin-2-yl]ethenyl]-1,3-benzoxazole
CID 57286159
5-[2-(5-nitrofuran-2-yl)ethenyl]-1,3,4-oxadiazol-2-amine
CID 86023507
2-methyl-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]furan
CID 91873040
4-[2-(5-nitrofuran-2-yl)ethenyl]pyridine
CID 131848791
2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline-4-carboxamide
CID 5377642

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,3-benzoxazole?
The IUPAC name of 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,3-benzoxazole (CID 14738165) is 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,3-benzoxazole is O=[N+]([O-])c1ccc(/C=C/c2nc3ccccc3o2)o1.
What is the InChIKey of 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,3-benzoxazole?
The InChIKey is MOEPZRYDYMGRJY-FNORWQNLSA-N. The full InChI is InChI=1S/C13H8N2O4/c16-15(17)13-8-6-9(18-13)5-7-12-14-10-3-1-2-4-11(10)19-12/h1-8H/b7-5+.
What are the key properties of 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,3-benzoxazole?
2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,3-benzoxazole has a molecular weight of 256.22 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,3-benzoxazole is sourced from PubChem (CID 14738165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).