5-(4-methoxynaphthalen-1-yl)-4-(4-methoxy-3-nitrophenyl)-1,2-oxazole

C21H16N2O5 — CID 150184230

IUPAC5-(4-methoxynaphthalen-1-yl)-4-(4-methoxy-3-nitrophenyl)-1,2-oxazole
SMILESCOc1ccc(-c2cnoc2-c2ccc(OC)c3ccccc23)cc1[N+](=O)[O-]
InChIInChI=1S/C21H16N2O5/c1-26-19-10-8-16(14-5-3-4-6-15(14)19)21-17(12-22-28-21)13-7-9-20(27-2)18(11-13)23(24)25/h3-12H,1-2H3
InChIKeyFMBJVDQVVZOLQU-UHFFFAOYSA-N
MW376.37 g/mol
LogP5.09
Rot. Bonds5

About 5-(4-methoxynaphthalen-1-yl)-4-(4-methoxy-3-nitrophenyl)-1,2-oxazole

5-(4-methoxynaphthalen-1-yl)-4-(4-methoxy-3-nitrophenyl)-1,2-oxazole (PubChem CID 150184230) has the molecular formula C21H16N2O5 and a molecular weight of 376.37 g/mol. Its IUPAC name is 5-(4-methoxynaphthalen-1-yl)-4-(4-methoxy-3-nitrophenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(4-methoxynaphthalen-1-yl)-4-(4-methoxy-3-nitrophenyl)-1,2-oxazole
PubChem CID150184230
Molecular FormulaC21H16N2O5
Molecular Weight376.37 g/mol
Exact Mass376.11
IUPAC Name5-(4-methoxynaphthalen-1-yl)-4-(4-methoxy-3-nitrophenyl)-1,2-oxazole
SMILESCOc1ccc(-c2cnoc2-c2ccc(OC)c3ccccc23)cc1[N+](=O)[O-]
InChIInChI=1S/C21H16N2O5/c1-26-19-10-8-16(14-5-3-4-6-15(14)19)21-17(12-22-28-21)13-7-9-20(27-2)18(11-13)23(24)25/h3-12H,1-2H3
InChIKeyFMBJVDQVVZOLQU-UHFFFAOYSA-N
XLogP5.09
TPSA87.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.37
LogP ≤ 55.09
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-(3,4-dimethoxyphenyl)-5-(4-methoxynaphthalen-1-yl)-1,2-oxazole
CID 151726229
2-(4-methoxy-3-nitrophenyl)-5-phenyl-1,3,4-oxadiazole
CID 17359287
4-bromo-5-(4-methoxy-3-nitrophenyl)-1,2-oxazol-3-amine
CID 79555784
1-(4-ethoxy-3-nitrophenyl)-2,3,4-trimethoxybenzene
CID 90953936
2-methoxy-N-[(4-nitrophenoxy)methyl]-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]aniline
CID 126639862
3-(4-methoxy-3-nitrophenyl)-5-methyl-1,2,4-oxadiazole
CID 616601
(4Z)-2-(4-methoxy-3-nitrophenyl)-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one
CID 9312852
5-(4-methoxy-3-nitrophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 2183720
2-(4-methoxy-3-nitrophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 17171729
3-(4-methoxy-3-nitrophenyl)-5-methyl-1H-pyrazole
CID 13170686
4-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]aniline
CID 58712172
[3-(4-methoxy-3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 82358630

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxynaphthalen-1-yl)-4-(4-methoxy-3-nitrophenyl)-1,2-oxazole?
The IUPAC name of 5-(4-methoxynaphthalen-1-yl)-4-(4-methoxy-3-nitrophenyl)-1,2-oxazole (CID 150184230) is 5-(4-methoxynaphthalen-1-yl)-4-(4-methoxy-3-nitrophenyl)-1,2-oxazole.
What is the SMILES notation for 5-(4-methoxynaphthalen-1-yl)-4-(4-methoxy-3-nitrophenyl)-1,2-oxazole?
The canonical SMILES for 5-(4-methoxynaphthalen-1-yl)-4-(4-methoxy-3-nitrophenyl)-1,2-oxazole is COc1ccc(-c2cnoc2-c2ccc(OC)c3ccccc23)cc1[N+](=O)[O-].
What is the InChIKey of 5-(4-methoxynaphthalen-1-yl)-4-(4-methoxy-3-nitrophenyl)-1,2-oxazole?
The InChIKey is FMBJVDQVVZOLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O5/c1-26-19-10-8-16(14-5-3-4-6-15(14)19)21-17(12-22-28-21)13-7-9-20(27-2)18(11-13)23(24)25/h3-12H,1-2H3.
What are the key properties of 5-(4-methoxynaphthalen-1-yl)-4-(4-methoxy-3-nitrophenyl)-1,2-oxazole?
5-(4-methoxynaphthalen-1-yl)-4-(4-methoxy-3-nitrophenyl)-1,2-oxazole has a molecular weight of 376.37 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxynaphthalen-1-yl)-4-(4-methoxy-3-nitrophenyl)-1,2-oxazole is sourced from PubChem (CID 150184230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).