4-[2-(ethoxymethyl)-1-(4-nitrophenyl)imidazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole

C22H20N4O4 — CID 67420517

IUPAC4-[2-(ethoxymethyl)-1-(4-nitrophenyl)imidazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole
SMILESCCOCc1nc(-c2c(-c3ccccc3)noc2C)cn1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C22H20N4O4/c1-3-29-14-20-23-19(13-25(20)17-9-11-18(12-10-17)26(27)28)21-15(2)30-24-22(21)16-7-5-4-6-8-16/h4-13H,3,14H2,1-2H3
InChIKeyVUNDXTKQUGVJTM-UHFFFAOYSA-N
MW404.43 g/mol
LogP4.95
Rot. Bonds7

About 4-[2-(ethoxymethyl)-1-(4-nitrophenyl)imidazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole

4-[2-(ethoxymethyl)-1-(4-nitrophenyl)imidazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole (PubChem CID 67420517) has the molecular formula C22H20N4O4 and a molecular weight of 404.43 g/mol. Its IUPAC name is 4-[2-(ethoxymethyl)-1-(4-nitrophenyl)imidazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole.

Molecular Properties

Compound Name4-[2-(ethoxymethyl)-1-(4-nitrophenyl)imidazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole
PubChem CID67420517
Molecular FormulaC22H20N4O4
Molecular Weight404.43 g/mol
Exact Mass404.15
IUPAC Name4-[2-(ethoxymethyl)-1-(4-nitrophenyl)imidazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole
SMILESCCOCc1nc(-c2c(-c3ccccc3)noc2C)cn1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C22H20N4O4/c1-3-29-14-20-23-19(13-25(20)17-9-11-18(12-10-17)26(27)28)21-15(2)30-24-22(21)16-7-5-4-6-8-16/h4-13H,3,14H2,1-2H3
InChIKeyVUNDXTKQUGVJTM-UHFFFAOYSA-N
XLogP4.95
TPSA96.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-methyl-4-[2-[(4-methylphenyl)methoxymethyl]-1-(4-nitrophenyl)imidazol-4-yl]-3-phenyl-1,2-oxazole
CID 23725536
4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1-[4-(trifluoromethyl)phenyl]imidazole-2-carboxylic acid
CID 67422081
3-(3-bromophenyl)-5-methyl-4-[1-(4-nitrophenyl)imidazol-4-yl]-1,2-oxazole
CID 23725438
4-(4-fluorophenyl)-5-methyl-3-(4-nitrophenyl)-1,2-oxazole
CID 155538929
5-butyl-4-(4-nitrophenyl)-3-phenyl-1,2-oxazole
CID 135031959
3-(3,4-difluorophenyl)-5-methyl-4-[1-(4-nitrophenyl)imidazol-4-yl]-1,2-oxazole
CID 23725483
ethyl 3-(4-methylphenyl)-4-(4-nitrophenyl)-1,2-oxazole-5-carboxylate
CID 102360140
5-methyl-3-phenyl-4-(6-pyrrol-1-ylimidazo[1,2-a]pyridin-2-yl)-1,2-oxazole
CID 24739643
4-(7-ethylimidazo[1,2-a]pyridin-2-yl)-5-methyl-3-phenyl-1,2-oxazole
CID 24738343
1-methyl-4-(4-nitrophenyl)-2,5-diphenylimidazole
CID 53243899
2-ethoxy-N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylacetamide
CID 22643560
1-[[5-[3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-nitrophenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one
CID 159203803

Frequently Asked Questions

What is the IUPAC name of 4-[2-(ethoxymethyl)-1-(4-nitrophenyl)imidazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole?
The IUPAC name of 4-[2-(ethoxymethyl)-1-(4-nitrophenyl)imidazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole (CID 67420517) is 4-[2-(ethoxymethyl)-1-(4-nitrophenyl)imidazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole.
What is the SMILES notation for 4-[2-(ethoxymethyl)-1-(4-nitrophenyl)imidazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole?
The canonical SMILES for 4-[2-(ethoxymethyl)-1-(4-nitrophenyl)imidazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole is CCOCc1nc(-c2c(-c3ccccc3)noc2C)cn1-c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-[2-(ethoxymethyl)-1-(4-nitrophenyl)imidazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole?
The InChIKey is VUNDXTKQUGVJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4/c1-3-29-14-20-23-19(13-25(20)17-9-11-18(12-10-17)26(27)28)21-15(2)30-24-22(21)16-7-5-4-6-8-16/h4-13H,3,14H2,1-2H3.
What are the key properties of 4-[2-(ethoxymethyl)-1-(4-nitrophenyl)imidazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole?
4-[2-(ethoxymethyl)-1-(4-nitrophenyl)imidazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole has a molecular weight of 404.43 g/mol, XLogP of 4.95, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(ethoxymethyl)-1-(4-nitrophenyl)imidazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole is sourced from PubChem (CID 67420517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).