4-[(4-methoxy-2-nitrophenoxy)methyl]-2-(4-methylphenyl)-1,3-oxazole

C18H16N2O5 — CID 24666676

IUPAC4-[(4-methoxy-2-nitrophenoxy)methyl]-2-(4-methylphenyl)-1,3-oxazole
SMILESCOc1ccc(OCc2coc(-c3ccc(C)cc3)n2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H16N2O5/c1-12-3-5-13(6-4-12)18-19-14(11-25-18)10-24-17-8-7-15(23-2)9-16(17)20(21)22/h3-9,11H,10H2,1-2H3
InChIKeyXBRHVALFWLPVCJ-UHFFFAOYSA-N
MW340.34 g/mol
LogP4.15
Rot. Bonds6

About 4-[(4-methoxy-2-nitrophenoxy)methyl]-2-(4-methylphenyl)-1,3-oxazole

4-[(4-methoxy-2-nitrophenoxy)methyl]-2-(4-methylphenyl)-1,3-oxazole (PubChem CID 24666676) has the molecular formula C18H16N2O5 and a molecular weight of 340.34 g/mol. Its IUPAC name is 4-[(4-methoxy-2-nitrophenoxy)methyl]-2-(4-methylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-[(4-methoxy-2-nitrophenoxy)methyl]-2-(4-methylphenyl)-1,3-oxazole
PubChem CID24666676
Molecular FormulaC18H16N2O5
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC Name4-[(4-methoxy-2-nitrophenoxy)methyl]-2-(4-methylphenyl)-1,3-oxazole
SMILESCOc1ccc(OCc2coc(-c3ccc(C)cc3)n2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H16N2O5/c1-12-3-5-13(6-4-12)18-19-14(11-25-18)10-24-17-8-7-15(23-2)9-16(17)20(21)22/h3-9,11H,10H2,1-2H3
InChIKeyXBRHVALFWLPVCJ-UHFFFAOYSA-N
XLogP4.15
TPSA87.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

4-[(4-chloro-2-nitrophenoxy)methyl]-2-(4-methylphenyl)-1,3-oxazole
CID 38931160
2-[(4-methoxy-2-nitrophenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 26035873
4-methoxy-1-[2-(4-methylphenoxy)ethoxy]-2-nitrobenzene
CID 55327751
5-(4-chlorophenyl)-3-[(4-methoxy-2-nitrophenoxy)methyl]-1,2,4-oxadiazole
CID 35499288
4-[(6-methoxy-2-methylquinolin-4-yl)oxymethyl]-2-(4-methoxyphenyl)-1,3-oxazole
CID 112812008
2-[(4-methoxy-2-nitrophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 7680960
2-(4-fluorophenyl)-4-[(4-methoxy-2-nitrophenoxy)methyl]-1,3-thiazole
CID 8537624
5-bromo-2-[(4-methoxy-2-nitrophenoxy)methyl]pyridine
CID 104809840
2-(4-methylphenyl)-4-[(4-methylsulfonylphenoxy)methyl]-1,3-oxazole
CID 47023809
[6-[(4-methoxy-2-nitrophenoxy)methyl]-2-pyridinyl]hydrazine
CID 79233113
N-[[2-(4-methoxy-3-nitrophenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 65288273
4-[(4-nitrophenoxy)methyl]-2-phenyl-1,3-oxazole
CID 18171386

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxy-2-nitrophenoxy)methyl]-2-(4-methylphenyl)-1,3-oxazole?
The IUPAC name of 4-[(4-methoxy-2-nitrophenoxy)methyl]-2-(4-methylphenyl)-1,3-oxazole (CID 24666676) is 4-[(4-methoxy-2-nitrophenoxy)methyl]-2-(4-methylphenyl)-1,3-oxazole.
What is the SMILES notation for 4-[(4-methoxy-2-nitrophenoxy)methyl]-2-(4-methylphenyl)-1,3-oxazole?
The canonical SMILES for 4-[(4-methoxy-2-nitrophenoxy)methyl]-2-(4-methylphenyl)-1,3-oxazole is COc1ccc(OCc2coc(-c3ccc(C)cc3)n2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-[(4-methoxy-2-nitrophenoxy)methyl]-2-(4-methylphenyl)-1,3-oxazole?
The InChIKey is XBRHVALFWLPVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5/c1-12-3-5-13(6-4-12)18-19-14(11-25-18)10-24-17-8-7-15(23-2)9-16(17)20(21)22/h3-9,11H,10H2,1-2H3.
What are the key properties of 4-[(4-methoxy-2-nitrophenoxy)methyl]-2-(4-methylphenyl)-1,3-oxazole?
4-[(4-methoxy-2-nitrophenoxy)methyl]-2-(4-methylphenyl)-1,3-oxazole has a molecular weight of 340.34 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxy-2-nitrophenoxy)methyl]-2-(4-methylphenyl)-1,3-oxazole is sourced from PubChem (CID 24666676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).