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

C26H25N3O2 — CID 69221096

IUPACN-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(1-phenylethyl)benzamide
SMILESCc1nnc(-c2ccc(C)c(-c3ccc(C(=O)N(C)C(C)c4ccccc4)cc3)c2)o1
InChIInChI=1S/C26H25N3O2/c1-17-10-11-23(25-28-27-19(3)31-25)16-24(17)21-12-14-22(15-13-21)26(30)29(4)18(2)20-8-6-5-7-9-20/h5-16,18H,1-4H3
InChIKeyONQVYBRTQOKDDR-UHFFFAOYSA-N
MW411.51 g/mol
LogP5.85
Rot. Bonds5

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

N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(1-phenylethyl)benzamide (PubChem CID 69221096) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound NameN-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(1-phenylethyl)benzamide
PubChem CID69221096
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC NameN-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(1-phenylethyl)benzamide
SMILESCc1nnc(-c2ccc(C)c(-c3ccc(C(=O)N(C)C(C)c4ccccc4)cc3)c2)o1
InChIInChI=1S/C26H25N3O2/c1-17-10-11-23(25-28-27-19(3)31-25)16-24(17)21-12-14-22(15-13-21)26(30)29(4)18(2)20-8-6-5-7-9-20/h5-16,18H,1-4H3
InChIKeyONQVYBRTQOKDDR-UHFFFAOYSA-N
XLogP5.85
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.51
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(1-phenylethyl)benzamide?
The IUPAC name of N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(1-phenylethyl)benzamide (CID 69221096) is N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(1-phenylethyl)benzamide?
The canonical SMILES for N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(1-phenylethyl)benzamide is Cc1nnc(-c2ccc(C)c(-c3ccc(C(=O)N(C)C(C)c4ccccc4)cc3)c2)o1.
What is the InChIKey of N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(1-phenylethyl)benzamide?
The InChIKey is ONQVYBRTQOKDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c1-17-10-11-23(25-28-27-19(3)31-25)16-24(17)21-12-14-22(15-13-21)26(30)29(4)18(2)20-8-6-5-7-9-20/h5-16,18H,1-4H3.
What are the key properties of N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(1-phenylethyl)benzamide?
N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(1-phenylethyl)benzamide has a molecular weight of 411.51 g/mol, XLogP of 5.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 69221096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).