3-(4-methoxyphenyl)-5-(phenoxymethyl)-1,2-oxazole;2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole

C23H22N4O6 — CID 144820507

IUPAC3-(4-methoxyphenyl)-5-(phenoxymethyl)-1,2-oxazole;2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole
SMILESCC1Cn2cc([N+](=O)[O-])nc2O1.COc1ccc(-c2cc(COc3ccccc3)on2)cc1
InChIInChI=1S/C17H15NO3.C6H7N3O3/c1-19-14-9-7-13(8-10-14)17-11-16(21-18-17)12-20-15-5-3-2-4-6-15;1-4-2-8-3-5(9(10)11)7-6(8)12-4/h2-11H,12H2,1H3;3-4H,2H2,1H3
InChIKeyQFWRVGQNFXUHFQ-UHFFFAOYSA-N
MW450.45 g/mol
LogP4.50
Rot. Bonds6

About 3-(4-methoxyphenyl)-5-(phenoxymethyl)-1,2-oxazole;2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole

3-(4-methoxyphenyl)-5-(phenoxymethyl)-1,2-oxazole;2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole (PubChem CID 144820507) has the molecular formula C23H22N4O6 and a molecular weight of 450.45 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-(phenoxymethyl)-1,2-oxazole;2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-(phenoxymethyl)-1,2-oxazole;2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole
PubChem CID144820507
Molecular FormulaC23H22N4O6
Molecular Weight450.45 g/mol
Exact Mass450.15
IUPAC Name3-(4-methoxyphenyl)-5-(phenoxymethyl)-1,2-oxazole;2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole
SMILESCC1Cn2cc([N+](=O)[O-])nc2O1.COc1ccc(-c2cc(COc3ccccc3)on2)cc1
InChIInChI=1S/C17H15NO3.C6H7N3O3/c1-19-14-9-7-13(8-10-14)17-11-16(21-18-17)12-20-15-5-3-2-4-6-15;1-4-2-8-3-5(9(10)11)7-6(8)12-4/h2-11H,12H2,1H3;3-4H,2H2,1H3
InChIKeyQFWRVGQNFXUHFQ-UHFFFAOYSA-N
XLogP4.50
TPSA114.68 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.45
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

1-(4-methoxyphenyl)-5-(4-methylphenyl)tetrazole;2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole
CID 144820492
(6S)-6-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
CID 44820430
5-(phenoxymethyl)-3-phenyl-1,2-oxazole
CID 1480808
methyl 4-[5-[[2-(4-methoxyphenyl)phenoxy]methyl]-1,2-oxazol-3-yl]benzoate
CID 134847157
(Z)-2-(N-amino-3-methoxyanilino)-1-(2,4-difluorophenyl)ethenamine;2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole
CID 144820477
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 5-nitrofuran-2-carboxylate
CID 16961243
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate
CID 46892996
2-methyl-2-[4-[[3-(4-phenylphenyl)-1,2-oxazol-5-yl]methoxy]phenoxy]propanoic acid
CID 11502852
(6S)-2-nitro-6-[(4-phenylphenyl)methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
CID 44627875
ethane;(3E,5Z)-4-methoxyocta-1,3,5,7-tetraene;2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole
CID 144820556
3-phenyl-5-[[4-[10,15,20-tris[4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphyrin-5-yl]phenoxy]methyl]-1,2-oxazole
CID 45005556
3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-1,2-oxazole
CID 118321395

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-(phenoxymethyl)-1,2-oxazole;2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole?
The IUPAC name of 3-(4-methoxyphenyl)-5-(phenoxymethyl)-1,2-oxazole;2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole (CID 144820507) is 3-(4-methoxyphenyl)-5-(phenoxymethyl)-1,2-oxazole;2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-(phenoxymethyl)-1,2-oxazole;2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole?
The canonical SMILES for 3-(4-methoxyphenyl)-5-(phenoxymethyl)-1,2-oxazole;2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole is CC1Cn2cc([N+](=O)[O-])nc2O1.COc1ccc(-c2cc(COc3ccccc3)on2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-(phenoxymethyl)-1,2-oxazole;2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole?
The InChIKey is QFWRVGQNFXUHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3.C6H7N3O3/c1-19-14-9-7-13(8-10-14)17-11-16(21-18-17)12-20-15-5-3-2-4-6-15;1-4-2-8-3-5(9(10)11)7-6(8)12-4/h2-11H,12H2,1H3;3-4H,2H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-5-(phenoxymethyl)-1,2-oxazole;2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole?
3-(4-methoxyphenyl)-5-(phenoxymethyl)-1,2-oxazole;2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole has a molecular weight of 450.45 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-(phenoxymethyl)-1,2-oxazole;2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 144820507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).