2-(5-nitrofuran-2-yl)-1,3-benzoxazole

C11H6N2O4 — CID 14374181

IUPAC2-(5-nitrofuran-2-yl)-1,3-benzoxazole
SMILESO=[N+]([O-])c1ccc(-c2nc3ccccc3o2)o1
InChIInChI=1S/C11H6N2O4/c14-13(15)10-6-5-9(16-10)11-12-7-3-1-2-4-8(7)17-11/h1-6H
InChIKeyJYSDXDVLVXXRTO-UHFFFAOYSA-N
MW230.18 g/mol
LogP3.00
Rot. Bonds2

About 2-(5-nitrofuran-2-yl)-1,3-benzoxazole

2-(5-nitrofuran-2-yl)-1,3-benzoxazole (PubChem CID 14374181) has the molecular formula C11H6N2O4 and a molecular weight of 230.18 g/mol. Its IUPAC name is 2-(5-nitrofuran-2-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(5-nitrofuran-2-yl)-1,3-benzoxazole
PubChem CID14374181
Molecular FormulaC11H6N2O4
Molecular Weight230.18 g/mol
Exact Mass230.03
IUPAC Name2-(5-nitrofuran-2-yl)-1,3-benzoxazole
SMILESO=[N+]([O-])c1ccc(-c2nc3ccccc3o2)o1
InChIInChI=1S/C11H6N2O4/c14-13(15)10-6-5-9(16-10)11-12-7-3-1-2-4-8(7)17-11/h1-6H
InChIKeyJYSDXDVLVXXRTO-UHFFFAOYSA-N
XLogP3.00
TPSA82.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.18
LogP ≤ 53.00
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

N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-5-nitrofuran-2-carboxamide
CID 3116398
(E)-3-(1,3-benzoxazol-2-yl)-N-hydroxyprop-2-enamide
CID 10241991
2-(Furan-2-yl)benzo[d]oxazole
CID 938024
2-Methyl-6-nitrobenzoxazole
CID 79766
2-Methyl-5-nitrobenzoxazole
CID 737587
N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-5-nitrofuran-2-carboxamide
CID 1270329
N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]-5-nitrofuran-2-carboxamide
CID 15991863
(E)-2-(1,3-benzoxazol-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enenitrile
CID 25111457
2-(Furan-2-yl)-5-methyl-1,3-benzoxazole
CID 659913
3-Acetyl-5-(1,3-benzoxazol-2-yl)-1,3,4-oxadiazol-2(3H)-one
CID 13094302
Methyl 1,3-benzoxazole-2-carboxylate
CID 13353743
Potassium 1,3-benzoxazole-2-carboxylate
CID 71299239

Frequently Asked Questions

What is the IUPAC name of 2-(5-nitrofuran-2-yl)-1,3-benzoxazole?
The IUPAC name of 2-(5-nitrofuran-2-yl)-1,3-benzoxazole (CID 14374181) is 2-(5-nitrofuran-2-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-(5-nitrofuran-2-yl)-1,3-benzoxazole?
The canonical SMILES for 2-(5-nitrofuran-2-yl)-1,3-benzoxazole is O=[N+]([O-])c1ccc(-c2nc3ccccc3o2)o1.
What is the InChIKey of 2-(5-nitrofuran-2-yl)-1,3-benzoxazole?
The InChIKey is JYSDXDVLVXXRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N2O4/c14-13(15)10-6-5-9(16-10)11-12-7-3-1-2-4-8(7)17-11/h1-6H.
What are the key properties of 2-(5-nitrofuran-2-yl)-1,3-benzoxazole?
2-(5-nitrofuran-2-yl)-1,3-benzoxazole has a molecular weight of 230.18 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-nitrofuran-2-yl)-1,3-benzoxazole is sourced from PubChem (CID 14374181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).