3,5-dimethoxy-N-[4-[[4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzamide

C28H25N5O4 — CID 50769190

IUPAC3,5-dimethoxy-N-[4-[[4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(Cn3cnc(-c4nc(-c5ccccc5C)no4)c3)cc2)c1
InChIInChI=1S/C28H25N5O4/c1-18-6-4-5-7-24(18)26-31-28(37-32-26)25-16-33(17-29-25)15-19-8-10-21(11-9-19)30-27(34)20-12-22(35-2)14-23(13-20)36-3/h4-14,16-17H,15H2,1-3H3,(H,30,34)
InChIKeyKEFLFHGNXMSXDT-UHFFFAOYSA-N
MW495.54 g/mol
LogP5.23
Rot. Bonds8

About 3,5-dimethoxy-N-[4-[[4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzamide

3,5-dimethoxy-N-[4-[[4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzamide (PubChem CID 50769190) has the molecular formula C28H25N5O4 and a molecular weight of 495.54 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[4-[[4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[4-[[4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzamide
PubChem CID50769190
Molecular FormulaC28H25N5O4
Molecular Weight495.54 g/mol
Exact Mass495.19
IUPAC Name3,5-dimethoxy-N-[4-[[4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(Cn3cnc(-c4nc(-c5ccccc5C)no4)c3)cc2)c1
InChIInChI=1S/C28H25N5O4/c1-18-6-4-5-7-24(18)26-31-28(37-32-26)25-16-33(17-29-25)15-19-8-10-21(11-9-19)30-27(34)20-12-22(35-2)14-23(13-20)36-3/h4-14,16-17H,15H2,1-3H3,(H,30,34)
InChIKeyKEFLFHGNXMSXDT-UHFFFAOYSA-N
XLogP5.23
TPSA104.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.54
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[[4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzamide
CID 50769149
4-bromo-N-[4-[[4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzamide
CID 46295602
N-[4-[[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzamide
CID 50769142
1-[4-[[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]-3-(3-methoxyphenyl)urea
CID 53058424
1-(4-ethoxyphenyl)-3-[4-[[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]urea
CID 46506944
1-[4-[[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]-3-(2-methylphenyl)urea
CID 53058540
3,5-dimethoxy-N-[4-[3-(2-methoxyethoxy)-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]benzamide
CID 4049573
1-(2,4-dimethoxyphenyl)-3-[4-[[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]urea
CID 53058467
2-fluoro-N-[4-[[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzenesulfonamide
CID 46295639
2-(4-methoxyphenyl)-N-[4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 3425643
N-[4-[[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]-2-phenylacetamide
CID 46295561
1-(5-chloro-2-methylphenyl)-3-[4-[[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]urea
CID 53058506

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[4-[[4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[4-[[4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzamide (CID 50769190) is 3,5-dimethoxy-N-[4-[[4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[4-[[4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[4-[[4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzamide is COc1cc(OC)cc(C(=O)Nc2ccc(Cn3cnc(-c4nc(-c5ccccc5C)no4)c3)cc2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[4-[[4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzamide?
The InChIKey is KEFLFHGNXMSXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O4/c1-18-6-4-5-7-24(18)26-31-28(37-32-26)25-16-33(17-29-25)15-19-8-10-21(11-9-19)30-27(34)20-12-22(35-2)14-23(13-20)36-3/h4-14,16-17H,15H2,1-3H3,(H,30,34).
What are the key properties of 3,5-dimethoxy-N-[4-[[4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzamide?
3,5-dimethoxy-N-[4-[[4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzamide has a molecular weight of 495.54 g/mol, XLogP of 5.23, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[4-[[4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzamide is sourced from PubChem (CID 50769190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).