2-[(Z)-1-chloro-2-(4-nitrophenyl)ethenyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole

C16H9ClN4O5 — CID 9031723

IUPAC2-[(Z)-1-chloro-2-(4-nitrophenyl)ethenyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole
SMILESO=[N+]([O-])c1ccc(/C=C(\Cl)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1
InChIInChI=1S/C16H9ClN4O5/c17-14(9-10-1-5-12(6-2-10)20(22)23)16-19-18-15(26-16)11-3-7-13(8-4-11)21(24)25/h1-9H/b14-9-
InChIKeyVRQXKPRCLQENJT-ZROIWOOFSA-N
MW372.72 g/mol
LogP4.29
Rot. Bonds5

About 2-[(Z)-1-chloro-2-(4-nitrophenyl)ethenyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole

2-[(Z)-1-chloro-2-(4-nitrophenyl)ethenyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole (PubChem CID 9031723) has the molecular formula C16H9ClN4O5 and a molecular weight of 372.72 g/mol. Its IUPAC name is 2-[(Z)-1-chloro-2-(4-nitrophenyl)ethenyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(Z)-1-chloro-2-(4-nitrophenyl)ethenyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole
PubChem CID9031723
Molecular FormulaC16H9ClN4O5
Molecular Weight372.72 g/mol
Exact Mass372.03
IUPAC Name2-[(Z)-1-chloro-2-(4-nitrophenyl)ethenyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole
SMILESO=[N+]([O-])c1ccc(/C=C(\Cl)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1
InChIInChI=1S/C16H9ClN4O5/c17-14(9-10-1-5-12(6-2-10)20(22)23)16-19-18-15(26-16)11-3-7-13(8-4-11)21(24)25/h1-9H/b14-9-
InChIKeyVRQXKPRCLQENJT-ZROIWOOFSA-N
XLogP4.29
TPSA125.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.72
LogP ≤ 54.29
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

2-[(Z)-1-chloro-2-(3,5-dimethoxyphenyl)ethenyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole
CID 9031909
2-[(Z)-1-chloro-2-(3-ethoxy-4-methoxyphenyl)ethenyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole
CID 9031864
2-[(Z)-1-chloro-2-(4-nitrophenyl)ethenyl]-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole
CID 9040318
N'-hydroxy-5-(4-nitrophenyl)-1,3,4-oxadiazole-2-carboximidamide
CID 136799712
2-[(Z)-1-chloro-2-(4-propoxyphenyl)ethenyl]-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 9031554
5-[(Z)-1-chloro-2-(4-nitrophenyl)ethenyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 9034299
butyl 5-(4-nitrophenyl)-1,3,4-oxadiazole-2-carboxylate
CID 2739028
2-[(Z)-1-chloro-2-(5-phenylthiophen-2-yl)ethenyl]-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 9031578
[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-formylbenzoate
CID 7669153
4-[1-chloro-2-(4-nitrophenyl)ethenyl]benzenethiol
CID 54560648
2-(4-nitrophenyl)-5-propan-2-yl-1,3,4-oxadiazole
CID 11264781
2-deuteriosulfanyl-5-(4-nitrophenyl)-1,3,4-oxadiazole
CID 175716883

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-chloro-2-(4-nitrophenyl)ethenyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(Z)-1-chloro-2-(4-nitrophenyl)ethenyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole (CID 9031723) is 2-[(Z)-1-chloro-2-(4-nitrophenyl)ethenyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(Z)-1-chloro-2-(4-nitrophenyl)ethenyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(Z)-1-chloro-2-(4-nitrophenyl)ethenyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole is O=[N+]([O-])c1ccc(/C=C(\Cl)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1.
What is the InChIKey of 2-[(Z)-1-chloro-2-(4-nitrophenyl)ethenyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole?
The InChIKey is VRQXKPRCLQENJT-ZROIWOOFSA-N. The full InChI is InChI=1S/C16H9ClN4O5/c17-14(9-10-1-5-12(6-2-10)20(22)23)16-19-18-15(26-16)11-3-7-13(8-4-11)21(24)25/h1-9H/b14-9-.
What are the key properties of 2-[(Z)-1-chloro-2-(4-nitrophenyl)ethenyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole?
2-[(Z)-1-chloro-2-(4-nitrophenyl)ethenyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole has a molecular weight of 372.72 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-chloro-2-(4-nitrophenyl)ethenyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 9031723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).