5-(3-Methoxy-4-nitrophenyl)-1,3,4-oxadiazol-2(3H)-one

HCID 21883906
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Basic information

CAS
648917-62-8
Standard SMILES
COc1cc(-c2n[nH]c(=O)o2)ccc1[N+](=O)[O-]
InChIKey
VWYZYJHQOBHFAM-UHFFFAOYSA-N
Molecular formula
C9H7N3O5
Average molar mass
237.17 g/mol
Monoisotopic mass
237.03857032

Names & identifiers

Preferred name
5-(3-Methoxy-4-nitrophenyl)-1,3,4-oxadiazol-2(3H)-one
IUPAC
5-(3-methoxy-4-nitrophenyl)-3H-1,3,4-oxadiazol-2-one

Names & synonyms

648917-62-85-(3-Methoxy-4-nitrophenyl)-1,3,4-oxadiazol-2(3H)-oneSCHEMBL4404180DTXSID50619409VWYZYJHQOBHFAM-UHFFFAOYSA-N5-(3-methoxy-4-nitrophenyl)-3H-[1,3,4]oxadiazol-2-one

Database identifiers

CAS
648917-62-8
PubChem CID
21883906
DTXSID
DTXSID50619409

Properties

Computed structural propertiesFilling in

XLogP
1.2
Topological polar surface area
106 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
17

Related reactions

2 records
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Compound notes

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