1-(1,3-benzoxazol-2-yl)-1-phenyl-2-(2,4,6-trinitrophenyl)hydrazine

C19H12N6O7 — CID 87086050

IUPAC1-(1,3-benzoxazol-2-yl)-1-phenyl-2-(2,4,6-trinitrophenyl)hydrazine
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c(NN(c2ccccc2)c2nc3ccccc3o2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H12N6O7/c26-23(27)13-10-15(24(28)29)18(16(11-13)25(30)31)21-22(12-6-2-1-3-7-12)19-20-14-8-4-5-9-17(14)32-19/h1-11,21H
InChIKeyVYDWOYDQPUKGNM-UHFFFAOYSA-N
MW436.34 g/mol
LogP4.72
Rot. Bonds7

About 1-(1,3-benzoxazol-2-yl)-1-phenyl-2-(2,4,6-trinitrophenyl)hydrazine

1-(1,3-benzoxazol-2-yl)-1-phenyl-2-(2,4,6-trinitrophenyl)hydrazine (PubChem CID 87086050) has the molecular formula C19H12N6O7 and a molecular weight of 436.34 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)-1-phenyl-2-(2,4,6-trinitrophenyl)hydrazine.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)-1-phenyl-2-(2,4,6-trinitrophenyl)hydrazine
PubChem CID87086050
Molecular FormulaC19H12N6O7
Molecular Weight436.34 g/mol
Exact Mass436.08
IUPAC Name1-(1,3-benzoxazol-2-yl)-1-phenyl-2-(2,4,6-trinitrophenyl)hydrazine
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c(NN(c2ccccc2)c2nc3ccccc3o2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H12N6O7/c26-23(27)13-10-15(24(28)29)18(16(11-13)25(30)31)21-22(12-6-2-1-3-7-12)19-20-14-8-4-5-9-17(14)32-19/h1-11,21H
InChIKeyVYDWOYDQPUKGNM-UHFFFAOYSA-N
XLogP4.72
TPSA170.72 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.34
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

1-phenyl-1-(1,3-thiazol-2-yl)-2-(2,4,6-trinitrophenyl)hydrazine
CID 23118903
2-(4-methyl-2,6-dinitrophenyl)-1,1-diphenylhydrazine
CID 22895095
N,N-diphenyl-1,3-benzoxazol-2-amine
CID 101462195
1-nitrophenoxazin-3-one
CID 56623997
1,1-bis[4-(3-ethylhexan-3-yl)phenyl]-2-(2,4,6-trinitrophenyl)hydrazine
CID 2724328
1,2-diphenyl-1-[2-(2,4,6-trinitrophenyl)phenyl]hydrazine
CID 54248221
1,1-diphenyl-2,2-bis(2,4,6-trinitrophenyl)hydrazine
CID 172790717
2-(2-nitrophenyl)-1,1-diphenylhydrazine
CID 23118944
1,3-dinitrophenazine
CID 78388402
2-(3-nitrophenyl)-1,1-diphenylhydrazine
CID 155797950
2-(5-nitropyrimidin-2-yl)-1,1-diphenylhydrazine
CID 3090119
2,4-dinitro-N',N'-diphenylbenzohydrazide
CID 56698403

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)-1-phenyl-2-(2,4,6-trinitrophenyl)hydrazine?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)-1-phenyl-2-(2,4,6-trinitrophenyl)hydrazine (CID 87086050) is 1-(1,3-benzoxazol-2-yl)-1-phenyl-2-(2,4,6-trinitrophenyl)hydrazine.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)-1-phenyl-2-(2,4,6-trinitrophenyl)hydrazine?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)-1-phenyl-2-(2,4,6-trinitrophenyl)hydrazine is O=[N+]([O-])c1cc([N+](=O)[O-])c(NN(c2ccccc2)c2nc3ccccc3o2)c([N+](=O)[O-])c1.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)-1-phenyl-2-(2,4,6-trinitrophenyl)hydrazine?
The InChIKey is VYDWOYDQPUKGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N6O7/c26-23(27)13-10-15(24(28)29)18(16(11-13)25(30)31)21-22(12-6-2-1-3-7-12)19-20-14-8-4-5-9-17(14)32-19/h1-11,21H.
What are the key properties of 1-(1,3-benzoxazol-2-yl)-1-phenyl-2-(2,4,6-trinitrophenyl)hydrazine?
1-(1,3-benzoxazol-2-yl)-1-phenyl-2-(2,4,6-trinitrophenyl)hydrazine has a molecular weight of 436.34 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-2-yl)-1-phenyl-2-(2,4,6-trinitrophenyl)hydrazine is sourced from PubChem (CID 87086050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).