5-(3-nitrophenyl)-3-(2H-tetrazol-5-yl)-1,2-oxazole

C10H6N6O3 — CID 10658836

IUPAC5-(3-nitrophenyl)-3-(2H-tetrazol-5-yl)-1,2-oxazole
SMILESO=[N+]([O-])c1cccc(-c2cc(-c3nn[nH]n3)no2)c1
InChIInChI=1S/C10H6N6O3/c17-16(18)7-3-1-2-6(4-7)9-5-8(13-19-9)10-11-14-15-12-10/h1-5H,(H,11,12,14,15)
InChIKeyKMLGJCZFGXBAIZ-UHFFFAOYSA-N
MW258.20 g/mol
LogP1.43
Rot. Bonds3

About 5-(3-nitrophenyl)-3-(2H-tetrazol-5-yl)-1,2-oxazole

5-(3-nitrophenyl)-3-(2H-tetrazol-5-yl)-1,2-oxazole (PubChem CID 10658836) has the molecular formula C10H6N6O3 and a molecular weight of 258.20 g/mol. Its IUPAC name is 5-(3-nitrophenyl)-3-(2H-tetrazol-5-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-(3-nitrophenyl)-3-(2H-tetrazol-5-yl)-1,2-oxazole
PubChem CID10658836
Molecular FormulaC10H6N6O3
Molecular Weight258.20 g/mol
Exact Mass258.05
IUPAC Name5-(3-nitrophenyl)-3-(2H-tetrazol-5-yl)-1,2-oxazole
SMILESO=[N+]([O-])c1cccc(-c2cc(-c3nn[nH]n3)no2)c1
InChIInChI=1S/C10H6N6O3/c17-16(18)7-3-1-2-6(4-7)9-5-8(13-19-9)10-11-14-15-12-10/h1-5H,(H,11,12,14,15)
InChIKeyKMLGJCZFGXBAIZ-UHFFFAOYSA-N
XLogP1.43
TPSA123.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 51.43
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 5-(3-nitrophenyl)-3-(2H-tetrazol-5-yl)-1,2-oxazole?
The IUPAC name of 5-(3-nitrophenyl)-3-(2H-tetrazol-5-yl)-1,2-oxazole (CID 10658836) is 5-(3-nitrophenyl)-3-(2H-tetrazol-5-yl)-1,2-oxazole.
What is the SMILES notation for 5-(3-nitrophenyl)-3-(2H-tetrazol-5-yl)-1,2-oxazole?
The canonical SMILES for 5-(3-nitrophenyl)-3-(2H-tetrazol-5-yl)-1,2-oxazole is O=[N+]([O-])c1cccc(-c2cc(-c3nn[nH]n3)no2)c1.
What is the InChIKey of 5-(3-nitrophenyl)-3-(2H-tetrazol-5-yl)-1,2-oxazole?
The InChIKey is KMLGJCZFGXBAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N6O3/c17-16(18)7-3-1-2-6(4-7)9-5-8(13-19-9)10-11-14-15-12-10/h1-5H,(H,11,12,14,15).
What are the key properties of 5-(3-nitrophenyl)-3-(2H-tetrazol-5-yl)-1,2-oxazole?
5-(3-nitrophenyl)-3-(2H-tetrazol-5-yl)-1,2-oxazole has a molecular weight of 258.20 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-nitrophenyl)-3-(2H-tetrazol-5-yl)-1,2-oxazole is sourced from PubChem (CID 10658836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).