N-[2-methyl-5-[3-[3-(piperidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide

C23H24N4O3 — CID 50779162

IUPACN-[2-methyl-5-[3-[3-(piperidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1cc(-c2nc(-c3cccc(C(=O)N4CCCCC4)c3)no2)ccc1C
InChIInChI=1S/C23H24N4O3/c1-15-9-10-18(14-20(15)24-16(2)28)22-25-21(26-30-22)17-7-6-8-19(13-17)23(29)27-11-4-3-5-12-27/h6-10,13-14H,3-5,11-12H2,1-2H3,(H,24,28)
InChIKeyTUZKOPBUOKZZGP-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.30
Rot. Bonds4

About N-[2-methyl-5-[3-[3-(piperidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide

N-[2-methyl-5-[3-[3-(piperidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide (PubChem CID 50779162) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[2-methyl-5-[3-[3-(piperidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methyl-5-[3-[3-(piperidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide
PubChem CID50779162
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-[2-methyl-5-[3-[3-(piperidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1cc(-c2nc(-c3cccc(C(=O)N4CCCCC4)c3)no2)ccc1C
InChIInChI=1S/C23H24N4O3/c1-15-9-10-18(14-20(15)24-16(2)28)22-25-21(26-30-22)17-7-6-8-19(13-17)23(29)27-11-4-3-5-12-27/h6-10,13-14H,3-5,11-12H2,1-2H3,(H,24,28)
InChIKeyTUZKOPBUOKZZGP-UHFFFAOYSA-N
XLogP4.30
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone
CID 50779143
[3-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone
CID 46321657
[3-[5-(5-bromofuran-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone
CID 46321651
piperidin-1-yl-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 46321655
azepan-1-yl-[3-(3,4-dimethylphenyl)phenyl]methanone
CID 126484493
[3-[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone
CID 50778885
azepan-1-yl-[3-(4-methylphenyl)phenyl]methanone
CID 126484488
N-[5-[3-(1-cyclopentyl-2-oxo-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]acetamide
CID 53065857
azepan-1-yl-[3-(3-fluoro-4-methylphenyl)phenyl]methanone
CID 126484495
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
CID 20973307
[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 155948637
[3-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone
CID 20932299

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[3-[3-(piperidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide?
The IUPAC name of N-[2-methyl-5-[3-[3-(piperidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide (CID 50779162) is N-[2-methyl-5-[3-[3-(piperidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide.
What is the SMILES notation for N-[2-methyl-5-[3-[3-(piperidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide?
The canonical SMILES for N-[2-methyl-5-[3-[3-(piperidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide is CC(=O)Nc1cc(-c2nc(-c3cccc(C(=O)N4CCCCC4)c3)no2)ccc1C.
What is the InChIKey of N-[2-methyl-5-[3-[3-(piperidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide?
The InChIKey is TUZKOPBUOKZZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-15-9-10-18(14-20(15)24-16(2)28)22-25-21(26-30-22)17-7-6-8-19(13-17)23(29)27-11-4-3-5-12-27/h6-10,13-14H,3-5,11-12H2,1-2H3,(H,24,28).
What are the key properties of N-[2-methyl-5-[3-[3-(piperidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide?
N-[2-methyl-5-[3-[3-(piperidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide has a molecular weight of 404.47 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[3-[3-(piperidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide is sourced from PubChem (CID 50779162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).