5-[(4-methoxy-2-nitrophenoxy)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole

C17H15N3O6 — CID 9354278

IUPAC5-[(4-methoxy-2-nitrophenoxy)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(OCc2nc(-c3ccccc3OC)no2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H15N3O6/c1-23-11-7-8-15(13(9-11)20(21)22)25-10-16-18-17(19-26-16)12-5-3-4-6-14(12)24-2/h3-9H,10H2,1-2H3
InChIKeyBPNXBTAVKCWJMF-UHFFFAOYSA-N
MW357.32 g/mol
LogP3.24
Rot. Bonds7

About 5-[(4-methoxy-2-nitrophenoxy)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole

5-[(4-methoxy-2-nitrophenoxy)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 9354278) has the molecular formula C17H15N3O6 and a molecular weight of 357.32 g/mol. Its IUPAC name is 5-[(4-methoxy-2-nitrophenoxy)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-methoxy-2-nitrophenoxy)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID9354278
Molecular FormulaC17H15N3O6
Molecular Weight357.32 g/mol
Exact Mass357.10
IUPAC Name5-[(4-methoxy-2-nitrophenoxy)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(OCc2nc(-c3ccccc3OC)no2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H15N3O6/c1-23-11-7-8-15(13(9-11)20(21)22)25-10-16-18-17(19-26-16)12-5-3-4-6-14(12)24-2/h3-9H,10H2,1-2H3
InChIKeyBPNXBTAVKCWJMF-UHFFFAOYSA-N
XLogP3.24
TPSA109.75 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.32
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

5-[(3,5-dimethoxyphenoxy)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 9355953
3-(2,4-dimethoxyphenyl)-5-[(2-ethoxyphenoxy)methyl]-1,2,4-oxadiazole
CID 9353480
5-[(3-iodophenoxy)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 9353996
2-[(4-methoxy-2-nitrophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 7680960
3-(3-methylphenyl)-5-[(2-nitrophenoxy)methyl]-1,2,4-oxadiazole
CID 19657964
7-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one
CID 9137818
2-[(4-methoxy-2-nitrophenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 26035873
5-(9H-carbazol-2-yloxymethyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 9355907
5-bromo-2-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde
CID 16595328
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-methoxy-3-nitrobenzoate
CID 8708201
5-methoxy-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
CID 24670741
[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(2-nitrophenyl)piperidine-4-carboxylate
CID 55391400

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxy-2-nitrophenoxy)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-methoxy-2-nitrophenoxy)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole (CID 9354278) is 5-[(4-methoxy-2-nitrophenoxy)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-methoxy-2-nitrophenoxy)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-methoxy-2-nitrophenoxy)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole is COc1ccc(OCc2nc(-c3ccccc3OC)no2)c([N+](=O)[O-])c1.
What is the InChIKey of 5-[(4-methoxy-2-nitrophenoxy)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is BPNXBTAVKCWJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O6/c1-23-11-7-8-15(13(9-11)20(21)22)25-10-16-18-17(19-26-16)12-5-3-4-6-14(12)24-2/h3-9H,10H2,1-2H3.
What are the key properties of 5-[(4-methoxy-2-nitrophenoxy)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
5-[(4-methoxy-2-nitrophenoxy)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 357.32 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxy-2-nitrophenoxy)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 9354278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).