N-methyl-3-[[4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzoyl]amino]benzamide

C25H22N4O3 — CID 25093463

IUPACN-methyl-3-[[4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzoyl]amino]benzamide
SMILESCNC(=O)c1cccc(NC(=O)c2ccc(-c3cc(-c4nnc(C)o4)ccc3C)cc2)c1
InChIInChI=1S/C25H22N4O3/c1-15-7-8-20(25-29-28-16(2)32-25)14-22(15)17-9-11-18(12-10-17)24(31)27-21-6-4-5-19(13-21)23(30)26-3/h4-14H,1-3H3,(H,26,30)(H,27,31)
InChIKeyYYOOAVJLTXUPEE-UHFFFAOYSA-N
MW426.48 g/mol
LogP4.63
Rot. Bonds5

About N-methyl-3-[[4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzoyl]amino]benzamide

N-methyl-3-[[4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzoyl]amino]benzamide (PubChem CID 25093463) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-methyl-3-[[4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-3-[[4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzoyl]amino]benzamide
PubChem CID25093463
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC NameN-methyl-3-[[4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzoyl]amino]benzamide
SMILESCNC(=O)c1cccc(NC(=O)c2ccc(-c3cc(-c4nnc(C)o4)ccc3C)cc2)c1
InChIInChI=1S/C25H22N4O3/c1-15-7-8-20(25-29-28-16(2)32-25)14-22(15)17-9-11-18(12-10-17)24(31)27-21-6-4-5-19(13-21)23(30)26-3/h4-14H,1-3H3,(H,26,30)(H,27,31)
InChIKeyYYOOAVJLTXUPEE-UHFFFAOYSA-N
XLogP4.63
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzoyl]amino]benzamide?
The IUPAC name of N-methyl-3-[[4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzoyl]amino]benzamide (CID 25093463) is N-methyl-3-[[4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzoyl]amino]benzamide.
What is the SMILES notation for N-methyl-3-[[4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzoyl]amino]benzamide?
The canonical SMILES for N-methyl-3-[[4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzoyl]amino]benzamide is CNC(=O)c1cccc(NC(=O)c2ccc(-c3cc(-c4nnc(C)o4)ccc3C)cc2)c1.
What is the InChIKey of N-methyl-3-[[4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzoyl]amino]benzamide?
The InChIKey is YYOOAVJLTXUPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3/c1-15-7-8-20(25-29-28-16(2)32-25)14-22(15)17-9-11-18(12-10-17)24(31)27-21-6-4-5-19(13-21)23(30)26-3/h4-14H,1-3H3,(H,26,30)(H,27,31).
What are the key properties of N-methyl-3-[[4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzoyl]amino]benzamide?
N-methyl-3-[[4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzoyl]amino]benzamide has a molecular weight of 426.48 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzoyl]amino]benzamide is sourced from PubChem (CID 25093463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).