(5-phenyl-1,3-oxazol-2-yl)methyl 5-nitrofuran-2-carboxylate

C15H10N2O6 — CID 9454937

IUPAC(5-phenyl-1,3-oxazol-2-yl)methyl 5-nitrofuran-2-carboxylate
SMILESO=C(OCc1ncc(-c2ccccc2)o1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C15H10N2O6/c18-15(11-6-7-14(23-11)17(19)20)21-9-13-16-8-12(22-13)10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyFVVFEHQJJJFHNW-UHFFFAOYSA-N
MW314.25 g/mol
LogP3.20
Rot. Bonds5

About (5-phenyl-1,3-oxazol-2-yl)methyl 5-nitrofuran-2-carboxylate

(5-phenyl-1,3-oxazol-2-yl)methyl 5-nitrofuran-2-carboxylate (PubChem CID 9454937) has the molecular formula C15H10N2O6 and a molecular weight of 314.25 g/mol. Its IUPAC name is (5-phenyl-1,3-oxazol-2-yl)methyl 5-nitrofuran-2-carboxylate.

Molecular Properties

Compound Name(5-phenyl-1,3-oxazol-2-yl)methyl 5-nitrofuran-2-carboxylate
PubChem CID9454937
Molecular FormulaC15H10N2O6
Molecular Weight314.25 g/mol
Exact Mass314.05
IUPAC Name(5-phenyl-1,3-oxazol-2-yl)methyl 5-nitrofuran-2-carboxylate
SMILESO=C(OCc1ncc(-c2ccccc2)o1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C15H10N2O6/c18-15(11-6-7-14(23-11)17(19)20)21-9-13-16-8-12(22-13)10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyFVVFEHQJJJFHNW-UHFFFAOYSA-N
XLogP3.20
TPSA108.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.25
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

(5-phenyl-1,3-oxazol-2-yl)methyl 2-nitrobenzoate
CID 9454725
(5-phenyl-1,3-oxazol-2-yl)methyl 5-sulfamoylfuran-2-carboxylate
CID 47028405
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-nitrofuran-2-carboxylate
CID 9454803
(5-phenyl-1,3-oxazol-2-yl)methyl 3-hydroxybenzoate
CID 7790163
phenacyl 5-nitrofuran-2-carboxylate
CID 804298
(5-phenyl-1,3-oxazol-2-yl)methyl 3-iodobenzoate
CID 8011127
(5-phenyl-1,3-oxazol-2-yl)methyl 2,5-dimethylfuran-3-carboxylate
CID 8861226
(5-phenyl-1,3-oxazol-2-yl)methyl 2-methylfuran-3-carboxylate
CID 8968981
thiophen-2-ylmethyl 5-nitrofuran-2-carboxylate
CID 2375133
(5-phenyl-1,3-oxazol-2-yl)methyl 3-phenoxybenzoate
CID 16521994
[3-(5-nitrofuran-2-carbonyl)oxy-2-oxopropyl] 5-nitrofuran-2-carboxylate
CID 2406638
(5-phenyl-1,3-oxazol-2-yl)methyl 2-hydroxy-2,2-diphenylacetate
CID 16500406

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl 5-nitrofuran-2-carboxylate?
The IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl 5-nitrofuran-2-carboxylate (CID 9454937) is (5-phenyl-1,3-oxazol-2-yl)methyl 5-nitrofuran-2-carboxylate.
What is the SMILES notation for (5-phenyl-1,3-oxazol-2-yl)methyl 5-nitrofuran-2-carboxylate?
The canonical SMILES for (5-phenyl-1,3-oxazol-2-yl)methyl 5-nitrofuran-2-carboxylate is O=C(OCc1ncc(-c2ccccc2)o1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of (5-phenyl-1,3-oxazol-2-yl)methyl 5-nitrofuran-2-carboxylate?
The InChIKey is FVVFEHQJJJFHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O6/c18-15(11-6-7-14(23-11)17(19)20)21-9-13-16-8-12(22-13)10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of (5-phenyl-1,3-oxazol-2-yl)methyl 5-nitrofuran-2-carboxylate?
(5-phenyl-1,3-oxazol-2-yl)methyl 5-nitrofuran-2-carboxylate has a molecular weight of 314.25 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3-oxazol-2-yl)methyl 5-nitrofuran-2-carboxylate is sourced from PubChem (CID 9454937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).