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

C23H26N4O3 — CID 25093467

IUPAC4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1nnc(-c2ccc(C)c(-c3ccc(C(=O)NCCN4CCOCC4)cc3)c2)o1
InChIInChI=1S/C23H26N4O3/c1-16-3-4-20(23-26-25-17(2)30-23)15-21(16)18-5-7-19(8-6-18)22(28)24-9-10-27-11-13-29-14-12-27/h3-8,15H,9-14H2,1-2H3,(H,24,28)
InChIKeySOSFFFFZOSFXEK-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.08
Rot. Bonds6

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

4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 25093467) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID25093467
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1nnc(-c2ccc(C)c(-c3ccc(C(=O)NCCN4CCOCC4)cc3)c2)o1
InChIInChI=1S/C23H26N4O3/c1-16-3-4-20(23-26-25-17(2)30-23)15-21(16)18-5-7-19(8-6-18)22(28)24-9-10-27-11-13-29-14-12-27/h3-8,15H,9-14H2,1-2H3,(H,24,28)
InChIKeySOSFFFFZOSFXEK-UHFFFAOYSA-N
XLogP3.08
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)benzamide (CID 25093467) is 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)benzamide is Cc1nnc(-c2ccc(C)c(-c3ccc(C(=O)NCCN4CCOCC4)cc3)c2)o1.
What is the InChIKey of 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is SOSFFFFZOSFXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-16-3-4-20(23-26-25-17(2)30-23)15-21(16)18-5-7-19(8-6-18)22(28)24-9-10-27-11-13-29-14-12-27/h3-8,15H,9-14H2,1-2H3,(H,24,28).
What are the key properties of 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)benzamide?
4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 406.49 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 25093467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).