2-(3,5-dinitrophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole

C14H7N5O7 — CID 21205474

IUPAC2-(3,5-dinitrophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
SMILESO=[N+]([O-])c1cccc(-c2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)o2)c1
InChIInChI=1S/C14H7N5O7/c20-17(21)10-3-1-2-8(4-10)13-15-16-14(26-13)9-5-11(18(22)23)7-12(6-9)19(24)25/h1-7H
InChIKeyJMNKQZZHOPLJOU-UHFFFAOYSA-N
MW357.24 g/mol
LogP3.13
Rot. Bonds5

About 2-(3,5-dinitrophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole

2-(3,5-dinitrophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole (PubChem CID 21205474) has the molecular formula C14H7N5O7 and a molecular weight of 357.24 g/mol. Its IUPAC name is 2-(3,5-dinitrophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3,5-dinitrophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
PubChem CID21205474
Molecular FormulaC14H7N5O7
Molecular Weight357.24 g/mol
Exact Mass357.03
IUPAC Name2-(3,5-dinitrophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
SMILESO=[N+]([O-])c1cccc(-c2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)o2)c1
InChIInChI=1S/C14H7N5O7/c20-17(21)10-3-1-2-8(4-10)13-15-16-14(26-13)9-5-11(18(22)23)7-12(6-9)19(24)25/h1-7H
InChIKeyJMNKQZZHOPLJOU-UHFFFAOYSA-N
XLogP3.13
TPSA168.34 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.24
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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-(3-chlorophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 2806323
2-(4-methylphenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 785031
2-(2-chlorophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 781502
2-(4-methoxy-3-nitrophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 17171729
4-[5-(3,5-dinitrophenyl)-1,3,4-oxadiazol-2-yl]-N,N-diphenylaniline
CID 102044178
2-(3-nitrophenyl)-5-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 166436144
4-fluoro-N-[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 92686369
2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 61327522
2-chloro-5-(3-chloro-5-nitrophenyl)-1,3,4-oxadiazole
CID 114770919
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
2-[(3-fluorophenyl)methylsulfanyl]-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 9344535
2-(3-nitrophenyl)-5-[(2-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 9344233

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dinitrophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(3,5-dinitrophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole (CID 21205474) is 2-(3,5-dinitrophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3,5-dinitrophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(3,5-dinitrophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole is O=[N+]([O-])c1cccc(-c2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)o2)c1.
What is the InChIKey of 2-(3,5-dinitrophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole?
The InChIKey is JMNKQZZHOPLJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7N5O7/c20-17(21)10-3-1-2-8(4-10)13-15-16-14(26-13)9-5-11(18(22)23)7-12(6-9)19(24)25/h1-7H.
What are the key properties of 2-(3,5-dinitrophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole?
2-(3,5-dinitrophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole has a molecular weight of 357.24 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dinitrophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 21205474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).