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

HCID 2806331

Basic information

Standard SMILES
Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1
InChIKey
BYZKBOZDHYZRQF-UHFFFAOYSA-N
Molecular formula
C9H7N3O3
Average molar mass
205.17 g/mol
Monoisotopic mass
205.04874109

Names & identifiers

Preferred name
2-Methyl-5-(3-nitrophenyl)-1,3,4-oxadiazole
IUPAC
2-methyl-5-(3-nitrophenyl)-1,3,4-oxadiazole

Names & synonyms

2-methyl-5-(3-nitrophenyl)-1,3,4-oxadiazole122733-39-52-Methyl-5-(3-nitro-phenyl)-[1,3,4]oxadiazoleMFCD000851315-methyl-2-(3-nitrophenyl)-1,3,4-oxadiazole2-methyl-5-(3-nitrophenyl)-[1,3,4]oxadiazoleSCHEMBL4607599BYZKBOZDHYZRQF-UHFFFAOYSA-NXEA73339AKOS015842147AS-5296CCG-242907
Show more names
DB-338577ST50993804EN300-898392-methyl-5(3-nitrophenyl)-1,3,4-oxadiazoleF070155Z103982886

Database identifiers

PubChem CID
2806331
Nikkaji
J436.161J

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
84.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
1
Heavy atoms
15

Related reactions

3 records

Linked notes

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