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

C23H26N4O2 — CID 95099897

IUPAC2,4-dimethyl-N-[(S)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESCc1ccc(C(=O)N[C@@H](c2ccccc2)c2nnc(N3CCCCC3)o2)c(C)c1
InChIInChI=1S/C23H26N4O2/c1-16-11-12-19(17(2)15-16)21(28)24-20(18-9-5-3-6-10-18)22-25-26-23(29-22)27-13-7-4-8-14-27/h3,5-6,9-12,15,20H,4,7-8,13-14H2,1-2H3,(H,24,28)/t20-/m0/s1
InChIKeyBAMOUAOAYRBBEH-FQEVSTJZSA-N
MW390.49 g/mol
LogP4.20
Rot. Bonds5

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

2,4-dimethyl-N-[(S)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide (PubChem CID 95099897) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(S)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[(S)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
PubChem CID95099897
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name2,4-dimethyl-N-[(S)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESCc1ccc(C(=O)N[C@@H](c2ccccc2)c2nnc(N3CCCCC3)o2)c(C)c1
InChIInChI=1S/C23H26N4O2/c1-16-11-12-19(17(2)15-16)21(28)24-20(18-9-5-3-6-10-18)22-25-26-23(29-22)27-13-7-4-8-14-27/h3,5-6,9-12,15,20H,4,7-8,13-14H2,1-2H3,(H,24,28)/t20-/m0/s1
InChIKeyBAMOUAOAYRBBEH-FQEVSTJZSA-N
XLogP4.20
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 53159686
3,5-dimethyl-N-[phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 53159600
2-bromo-N-[phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 53159583
2,5-difluoro-N-[(R)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 95099906
2,5-difluoro-N-[(S)-phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 95099799
3,4-difluoro-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 53159657
3,5-difluoro-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 53159662
4-bromo-N-[(S)-phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 95099739
4-(dimethylamino)-N-[phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 53159586
2-ethoxy-N-[(R)-phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 95099750
N-[(S)-phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)benzamide
CID 95099783
N-[(R)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]cyclobutanecarboxamide
CID 95099882

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(S)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The IUPAC name of 2,4-dimethyl-N-[(S)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide (CID 95099897) is 2,4-dimethyl-N-[(S)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide.
What is the SMILES notation for 2,4-dimethyl-N-[(S)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The canonical SMILES for 2,4-dimethyl-N-[(S)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide is Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2nnc(N3CCCCC3)o2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[(S)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The InChIKey is BAMOUAOAYRBBEH-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-16-11-12-19(17(2)15-16)21(28)24-20(18-9-5-3-6-10-18)22-25-26-23(29-22)27-13-7-4-8-14-27/h3,5-6,9-12,15,20H,4,7-8,13-14H2,1-2H3,(H,24,28)/t20-/m0/s1.
What are the key properties of 2,4-dimethyl-N-[(S)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
2,4-dimethyl-N-[(S)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide has a molecular weight of 390.49 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(S)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 95099897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).