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

C22H25N3O2 — CID 21078774

IUPACN-(3-methylbutan-2-yl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCc1nnc(-c2ccc(C)c(-c3ccc(C(=O)NC(C)C(C)C)cc3)c2)o1
InChIInChI=1S/C22H25N3O2/c1-13(2)15(4)23-21(26)18-10-8-17(9-11-18)20-12-19(7-6-14(20)3)22-25-24-16(5)27-22/h6-13,15H,1-5H3,(H,23,26)
InChIKeyNQWCUJKDJMUBMU-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.79
Rot. Bonds5

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

N-(3-methylbutan-2-yl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide (PubChem CID 21078774) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
PubChem CID21078774
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-(3-methylbutan-2-yl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCc1nnc(-c2ccc(C)c(-c3ccc(C(=O)NC(C)C(C)C)cc3)c2)o1
InChIInChI=1S/C22H25N3O2/c1-13(2)15(4)23-21(26)18-10-8-17(9-11-18)20-12-19(7-6-14(20)3)22-25-24-16(5)27-22/h6-13,15H,1-5H3,(H,23,26)
InChIKeyNQWCUJKDJMUBMU-UHFFFAOYSA-N
XLogP4.79
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The IUPAC name of N-(3-methylbutan-2-yl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide (CID 21078774) is N-(3-methylbutan-2-yl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The canonical SMILES for N-(3-methylbutan-2-yl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide is Cc1nnc(-c2ccc(C)c(-c3ccc(C(=O)NC(C)C(C)C)cc3)c2)o1.
What is the InChIKey of N-(3-methylbutan-2-yl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The InChIKey is NQWCUJKDJMUBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-13(2)15(4)23-21(26)18-10-8-17(9-11-18)20-12-19(7-6-14(20)3)22-25-24-16(5)27-22/h6-13,15H,1-5H3,(H,23,26).
What are the key properties of N-(3-methylbutan-2-yl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
N-(3-methylbutan-2-yl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide has a molecular weight of 363.46 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 21078774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).