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

C25H22N4O3 — CID 69221749

IUPAC2-methyl-5-[[4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzoyl]amino]benzamide
SMILESCc1nnc(-c2ccc(C)c(-c3ccc(C(=O)Nc4ccc(C)c(C(N)=O)c4)cc3)c2)o1
InChIInChI=1S/C25H22N4O3/c1-14-4-6-19(25-29-28-16(3)32-25)12-21(14)17-7-9-18(10-8-17)24(31)27-20-11-5-15(2)22(13-20)23(26)30/h4-13H,1-3H3,(H2,26,30)(H,27,31)
InChIKeyJXMBHAAQESNYHS-UHFFFAOYSA-N
MW426.48 g/mol
LogP4.68
Rot. Bonds5

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

2-methyl-5-[[4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzoyl]amino]benzamide (PubChem CID 69221749) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is 2-methyl-5-[[4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzoyl]amino]benzamide.

Molecular Properties

Compound Name2-methyl-5-[[4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzoyl]amino]benzamide
PubChem CID69221749
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC Name2-methyl-5-[[4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzoyl]amino]benzamide
SMILESCc1nnc(-c2ccc(C)c(-c3ccc(C(=O)Nc4ccc(C)c(C(N)=O)c4)cc3)c2)o1
InChIInChI=1S/C25H22N4O3/c1-14-4-6-19(25-29-28-16(3)32-25)12-21(14)17-7-9-18(10-8-17)24(31)27-20-11-5-15(2)22(13-20)23(26)30/h4-13H,1-3H3,(H2,26,30)(H,27,31)
InChIKeyJXMBHAAQESNYHS-UHFFFAOYSA-N
XLogP4.68
TPSA111.11 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 ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzoyl]amino]benzamide?
The IUPAC name of 2-methyl-5-[[4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzoyl]amino]benzamide (CID 69221749) is 2-methyl-5-[[4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzoyl]amino]benzamide.
What is the SMILES notation for 2-methyl-5-[[4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzoyl]amino]benzamide?
The canonical SMILES for 2-methyl-5-[[4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzoyl]amino]benzamide is Cc1nnc(-c2ccc(C)c(-c3ccc(C(=O)Nc4ccc(C)c(C(N)=O)c4)cc3)c2)o1.
What is the InChIKey of 2-methyl-5-[[4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzoyl]amino]benzamide?
The InChIKey is JXMBHAAQESNYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3/c1-14-4-6-19(25-29-28-16(3)32-25)12-21(14)17-7-9-18(10-8-17)24(31)27-20-11-5-15(2)22(13-20)23(26)30/h4-13H,1-3H3,(H2,26,30)(H,27,31).
What are the key properties of 2-methyl-5-[[4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzoyl]amino]benzamide?
2-methyl-5-[[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 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzoyl]amino]benzamide is sourced from PubChem (CID 69221749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).