1-(4-nitrophenyl)-5-[(E)-3-phenylprop-2-enoxy]tetrazole

C16H13N5O3 — CID 10519933

IUPAC1-(4-nitrophenyl)-5-[(E)-3-phenylprop-2-enoxy]tetrazole
SMILESO=[N+]([O-])c1ccc(-n2nnnc2OC/C=C/c2ccccc2)cc1
InChIInChI=1S/C16H13N5O3/c22-21(23)15-10-8-14(9-11-15)20-16(17-18-19-20)24-12-4-7-13-5-2-1-3-6-13/h1-11H,12H2/b7-4+
InChIKeyWIPNWRPPFVNWMU-QPJJXVBHSA-N
MW323.31 g/mol
LogP2.66
Rot. Bonds6

About 1-(4-nitrophenyl)-5-[(E)-3-phenylprop-2-enoxy]tetrazole

1-(4-nitrophenyl)-5-[(E)-3-phenylprop-2-enoxy]tetrazole (PubChem CID 10519933) has the molecular formula C16H13N5O3 and a molecular weight of 323.31 g/mol. Its IUPAC name is 1-(4-nitrophenyl)-5-[(E)-3-phenylprop-2-enoxy]tetrazole.

Molecular Properties

Compound Name1-(4-nitrophenyl)-5-[(E)-3-phenylprop-2-enoxy]tetrazole
PubChem CID10519933
Molecular FormulaC16H13N5O3
Molecular Weight323.31 g/mol
Exact Mass323.10
IUPAC Name1-(4-nitrophenyl)-5-[(E)-3-phenylprop-2-enoxy]tetrazole
SMILESO=[N+]([O-])c1ccc(-n2nnnc2OC/C=C/c2ccccc2)cc1
InChIInChI=1S/C16H13N5O3/c22-21(23)15-10-8-14(9-11-15)20-16(17-18-19-20)24-12-4-7-13-5-2-1-3-6-13/h1-11H,12H2/b7-4+
InChIKeyWIPNWRPPFVNWMU-QPJJXVBHSA-N
XLogP2.66
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 52.66
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'}

Analyze 1-(4-nitrophenyl)-5-[(E)-3-phenylprop-2-enoxy]tetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrophenyl)-5-[(E)-3-phenylprop-2-enoxy]tetrazole?
The IUPAC name of 1-(4-nitrophenyl)-5-[(E)-3-phenylprop-2-enoxy]tetrazole (CID 10519933) is 1-(4-nitrophenyl)-5-[(E)-3-phenylprop-2-enoxy]tetrazole.
What is the SMILES notation for 1-(4-nitrophenyl)-5-[(E)-3-phenylprop-2-enoxy]tetrazole?
The canonical SMILES for 1-(4-nitrophenyl)-5-[(E)-3-phenylprop-2-enoxy]tetrazole is O=[N+]([O-])c1ccc(-n2nnnc2OC/C=C/c2ccccc2)cc1.
What is the InChIKey of 1-(4-nitrophenyl)-5-[(E)-3-phenylprop-2-enoxy]tetrazole?
The InChIKey is WIPNWRPPFVNWMU-QPJJXVBHSA-N. The full InChI is InChI=1S/C16H13N5O3/c22-21(23)15-10-8-14(9-11-15)20-16(17-18-19-20)24-12-4-7-13-5-2-1-3-6-13/h1-11H,12H2/b7-4+.
What are the key properties of 1-(4-nitrophenyl)-5-[(E)-3-phenylprop-2-enoxy]tetrazole?
1-(4-nitrophenyl)-5-[(E)-3-phenylprop-2-enoxy]tetrazole has a molecular weight of 323.31 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenyl)-5-[(E)-3-phenylprop-2-enoxy]tetrazole is sourced from PubChem (CID 10519933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).