N-(3-chloro-4-methylphenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide

C23H19ClN4O3 — CID 27373576

IUPACN-(3-chloro-4-methylphenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
SMILESCc1ccc(-c2noc(-c3cccn(CC(=O)Nc4ccc(C)c(Cl)c4)c3=O)n2)cc1
InChIInChI=1S/C23H19ClN4O3/c1-14-5-8-16(9-6-14)21-26-22(31-27-21)18-4-3-11-28(23(18)30)13-20(29)25-17-10-7-15(2)19(24)12-17/h3-12H,13H2,1-2H3,(H,25,29)
InChIKeyYAOBWKVTEIGDSH-UHFFFAOYSA-N
MW434.88 g/mol
LogP4.47
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide

N-(3-chloro-4-methylphenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide (PubChem CID 27373576) has the molecular formula C23H19ClN4O3 and a molecular weight of 434.88 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
PubChem CID27373576
Molecular FormulaC23H19ClN4O3
Molecular Weight434.88 g/mol
Exact Mass434.11
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
SMILESCc1ccc(-c2noc(-c3cccn(CC(=O)Nc4ccc(C)c(Cl)c4)c3=O)n2)cc1
InChIInChI=1S/C23H19ClN4O3/c1-14-5-8-16(9-6-14)21-26-22(31-27-21)18-4-3-11-28(23(18)30)13-20(29)25-17-10-7-15(2)19(24)12-17/h3-12H,13H2,1-2H3,(H,25,29)
InChIKeyYAOBWKVTEIGDSH-UHFFFAOYSA-N
XLogP4.47
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.88
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,6-dimethylphenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
CID 27373562
N-(2-chloro-4-methylphenyl)-2-[2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide
CID 30849110
N-(4-ethoxyphenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
CID 27373583
2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-methoxyphenyl)acetamide
CID 30849405
2-[2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 30849101
2-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 30849607
2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 30849417
2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2,5-dimethylphenyl)acetamide
CID 30849619
2-[5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-chloro-4-methylphenyl)acetamide
CID 51366710
N-(4-bromo-2-fluorophenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
CID 27373566
N-(3-acetylphenyl)-2-[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
CID 53100913
N-(2-bromo-4-methylphenyl)-2-[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
CID 53100921

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide (CID 27373576) is N-(3-chloro-4-methylphenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide is Cc1ccc(-c2noc(-c3cccn(CC(=O)Nc4ccc(C)c(Cl)c4)c3=O)n2)cc1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide?
The InChIKey is YAOBWKVTEIGDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O3/c1-14-5-8-16(9-6-14)21-26-22(31-27-21)18-4-3-11-28(23(18)30)13-20(29)25-17-10-7-15(2)19(24)12-17/h3-12H,13H2,1-2H3,(H,25,29).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide?
N-(3-chloro-4-methylphenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide has a molecular weight of 434.88 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 27373576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).