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

C28H28N4O3 — CID 44580420

IUPAC4-methyl-3-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(3-morpholin-4-ylphenyl)benzamide
SMILESCc1nnc(-c2ccc(-c3cc(C(=O)Nc4cccc(N5CCOCC5)c4)ccc3C)c(C)c2)o1
InChIInChI=1S/C28H28N4O3/c1-18-7-8-21(27(33)29-23-5-4-6-24(17-23)32-11-13-34-14-12-32)16-26(18)25-10-9-22(15-19(25)2)28-31-30-20(3)35-28/h4-10,15-17H,11-14H2,1-3H3,(H,29,33)
InChIKeyNCEXHVFUAONAAE-UHFFFAOYSA-N
MW468.56 g/mol
LogP5.42
Rot. Bonds5

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

4-methyl-3-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(3-morpholin-4-ylphenyl)benzamide (PubChem CID 44580420) has the molecular formula C28H28N4O3 and a molecular weight of 468.56 g/mol. Its IUPAC name is 4-methyl-3-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(3-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name4-methyl-3-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(3-morpholin-4-ylphenyl)benzamide
PubChem CID44580420
Molecular FormulaC28H28N4O3
Molecular Weight468.56 g/mol
Exact Mass468.22
IUPAC Name4-methyl-3-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(3-morpholin-4-ylphenyl)benzamide
SMILESCc1nnc(-c2ccc(-c3cc(C(=O)Nc4cccc(N5CCOCC5)c4)ccc3C)c(C)c2)o1
InChIInChI=1S/C28H28N4O3/c1-18-7-8-21(27(33)29-23-5-4-6-24(17-23)32-11-13-34-14-12-32)16-26(18)25-10-9-22(15-19(25)2)28-31-30-20(3)35-28/h4-10,15-17H,11-14H2,1-3H3,(H,29,33)
InChIKeyNCEXHVFUAONAAE-UHFFFAOYSA-N
XLogP5.42
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.56
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_I(4)', 'substructure': 'N/A'}

Analyze 4-methyl-3-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(3-morpholin-4-ylphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(3-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 4-methyl-3-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(3-morpholin-4-ylphenyl)benzamide (CID 44580420) is 4-methyl-3-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(3-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 4-methyl-3-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(3-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 4-methyl-3-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(3-morpholin-4-ylphenyl)benzamide is Cc1nnc(-c2ccc(-c3cc(C(=O)Nc4cccc(N5CCOCC5)c4)ccc3C)c(C)c2)o1.
What is the InChIKey of 4-methyl-3-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(3-morpholin-4-ylphenyl)benzamide?
The InChIKey is NCEXHVFUAONAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O3/c1-18-7-8-21(27(33)29-23-5-4-6-24(17-23)32-11-13-34-14-12-32)16-26(18)25-10-9-22(15-19(25)2)28-31-30-20(3)35-28/h4-10,15-17H,11-14H2,1-3H3,(H,29,33).
What are the key properties of 4-methyl-3-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(3-morpholin-4-ylphenyl)benzamide?
4-methyl-3-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(3-morpholin-4-ylphenyl)benzamide has a molecular weight of 468.56 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(3-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 44580420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).