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

C22H17ClN4O3 — CID 30849110

IUPACN-(2-chloro-4-methylphenyl)-2-[2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide
SMILESCc1ccc(NC(=O)Cn2cccc(-c3nc(-c4ccccc4)no3)c2=O)c(Cl)c1
InChIInChI=1S/C22H17ClN4O3/c1-14-9-10-18(17(23)12-14)24-19(28)13-27-11-5-8-16(22(27)29)21-25-20(26-30-21)15-6-3-2-4-7-15/h2-12H,13H2,1H3,(H,24,28)
InChIKeyYWRGYSXSBPXCIX-UHFFFAOYSA-N
MW420.86 g/mol
LogP4.17
Rot. Bonds5

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

N-(2-chloro-4-methylphenyl)-2-[2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide (PubChem CID 30849110) has the molecular formula C22H17ClN4O3 and a molecular weight of 420.86 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-[2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-[2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide
PubChem CID30849110
Molecular FormulaC22H17ClN4O3
Molecular Weight420.86 g/mol
Exact Mass420.10
IUPAC NameN-(2-chloro-4-methylphenyl)-2-[2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide
SMILESCc1ccc(NC(=O)Cn2cccc(-c3nc(-c4ccccc4)no3)c2=O)c(Cl)c1
InChIInChI=1S/C22H17ClN4O3/c1-14-9-10-18(17(23)12-14)24-19(28)13-27-11-5-8-16(22(27)29)21-25-20(26-30-21)15-6-3-2-4-7-15/h2-12H,13H2,1H3,(H,24,28)
InChIKeyYWRGYSXSBPXCIX-UHFFFAOYSA-N
XLogP4.17
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.86
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 30849101
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-chloro-4-methylphenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
CID 27373576
N-(2-bromo-4-methylphenyl)-2-[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
CID 53100921
N-(2,6-dimethylphenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
CID 27373562
2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2,5-dimethylphenyl)acetamide
CID 30849619
2-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 30849607
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-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 30849417
N-(3-acetylphenyl)-2-[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
CID 53100913
N-(2-chloro-4-methylphenyl)-2-[[4-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 53128197

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-[2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-[2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide (CID 30849110) is N-(2-chloro-4-methylphenyl)-2-[2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-[2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-[2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide is Cc1ccc(NC(=O)Cn2cccc(-c3nc(-c4ccccc4)no3)c2=O)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-[2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide?
The InChIKey is YWRGYSXSBPXCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O3/c1-14-9-10-18(17(23)12-14)24-19(28)13-27-11-5-8-16(22(27)29)21-25-20(26-30-21)15-6-3-2-4-7-15/h2-12H,13H2,1H3,(H,24,28).
What are the key properties of N-(2-chloro-4-methylphenyl)-2-[2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide?
N-(2-chloro-4-methylphenyl)-2-[2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide has a molecular weight of 420.86 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2-[2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide is sourced from PubChem (CID 30849110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).