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

C28H24N4O4 — CID 23725536

IUPAC5-methyl-4-[2-[(4-methylphenyl)methoxymethyl]-1-(4-nitrophenyl)imidazol-4-yl]-3-phenyl-1,2-oxazole
SMILESCc1ccc(COCc2nc(-c3c(-c4ccccc4)noc3C)cn2-c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C28H24N4O4/c1-19-8-10-21(11-9-19)17-35-18-26-29-25(16-31(26)23-12-14-24(15-13-23)32(33)34)27-20(2)36-30-28(27)22-6-4-3-5-7-22/h3-16H,17-18H2,1-2H3
InChIKeyYPHFCJSDWWHDBQ-UHFFFAOYSA-N
MW480.52 g/mol
LogP6.44
Rot. Bonds8

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

5-methyl-4-[2-[(4-methylphenyl)methoxymethyl]-1-(4-nitrophenyl)imidazol-4-yl]-3-phenyl-1,2-oxazole (PubChem CID 23725536) has the molecular formula C28H24N4O4 and a molecular weight of 480.52 g/mol. Its IUPAC name is 5-methyl-4-[2-[(4-methylphenyl)methoxymethyl]-1-(4-nitrophenyl)imidazol-4-yl]-3-phenyl-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-4-[2-[(4-methylphenyl)methoxymethyl]-1-(4-nitrophenyl)imidazol-4-yl]-3-phenyl-1,2-oxazole
PubChem CID23725536
Molecular FormulaC28H24N4O4
Molecular Weight480.52 g/mol
Exact Mass480.18
IUPAC Name5-methyl-4-[2-[(4-methylphenyl)methoxymethyl]-1-(4-nitrophenyl)imidazol-4-yl]-3-phenyl-1,2-oxazole
SMILESCc1ccc(COCc2nc(-c3c(-c4ccccc4)noc3C)cn2-c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C28H24N4O4/c1-19-8-10-21(11-9-19)17-35-18-26-29-25(16-31(26)23-12-14-24(15-13-23)32(33)34)27-20(2)36-30-28(27)22-6-4-3-5-7-22/h3-16H,17-18H2,1-2H3
InChIKeyYPHFCJSDWWHDBQ-UHFFFAOYSA-N
XLogP6.44
TPSA96.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.52
LogP ≤ 56.44
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

4-[2-(ethoxymethyl)-1-(4-nitrophenyl)imidazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole
CID 67420517
5-methyl-3-phenyl-4-(6-pyrrol-1-ylimidazo[1,2-a]pyridin-2-yl)-1,2-oxazole
CID 24739643
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
3-(3,4-difluorophenyl)-5-methyl-4-[1-(4-nitrophenyl)imidazol-4-yl]-1,2-oxazole
CID 23725483
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
5-butyl-4-(4-nitrophenyl)-3-phenyl-1,2-oxazole
CID 135031959
ethyl 3-(4-methylphenyl)-4-(4-nitrophenyl)-1,2-oxazole-5-carboxylate
CID 102360140
4-(7-bromoimidazo[1,2-a]pyridin-2-yl)-5-methyl-3-phenyl-1,2-oxazole
CID 24738828
4-[6-(1H-imidazol-2-yl)imidazo[1,2-a]pyridin-2-yl]-5-methyl-3-phenyl-1,2-oxazole
CID 69179143

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[2-[(4-methylphenyl)methoxymethyl]-1-(4-nitrophenyl)imidazol-4-yl]-3-phenyl-1,2-oxazole?
The IUPAC name of 5-methyl-4-[2-[(4-methylphenyl)methoxymethyl]-1-(4-nitrophenyl)imidazol-4-yl]-3-phenyl-1,2-oxazole (CID 23725536) is 5-methyl-4-[2-[(4-methylphenyl)methoxymethyl]-1-(4-nitrophenyl)imidazol-4-yl]-3-phenyl-1,2-oxazole.
What is the SMILES notation for 5-methyl-4-[2-[(4-methylphenyl)methoxymethyl]-1-(4-nitrophenyl)imidazol-4-yl]-3-phenyl-1,2-oxazole?
The canonical SMILES for 5-methyl-4-[2-[(4-methylphenyl)methoxymethyl]-1-(4-nitrophenyl)imidazol-4-yl]-3-phenyl-1,2-oxazole is Cc1ccc(COCc2nc(-c3c(-c4ccccc4)noc3C)cn2-c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 5-methyl-4-[2-[(4-methylphenyl)methoxymethyl]-1-(4-nitrophenyl)imidazol-4-yl]-3-phenyl-1,2-oxazole?
The InChIKey is YPHFCJSDWWHDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O4/c1-19-8-10-21(11-9-19)17-35-18-26-29-25(16-31(26)23-12-14-24(15-13-23)32(33)34)27-20(2)36-30-28(27)22-6-4-3-5-7-22/h3-16H,17-18H2,1-2H3.
What are the key properties of 5-methyl-4-[2-[(4-methylphenyl)methoxymethyl]-1-(4-nitrophenyl)imidazol-4-yl]-3-phenyl-1,2-oxazole?
5-methyl-4-[2-[(4-methylphenyl)methoxymethyl]-1-(4-nitrophenyl)imidazol-4-yl]-3-phenyl-1,2-oxazole has a molecular weight of 480.52 g/mol, XLogP of 6.44, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[2-[(4-methylphenyl)methoxymethyl]-1-(4-nitrophenyl)imidazol-4-yl]-3-phenyl-1,2-oxazole is sourced from PubChem (CID 23725536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).