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

C21H22N4O4 — CID 51695550

IUPAC2-[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCc1ccccc1-c1noc(-c2cccn(CC(=O)NC[C@@H]3CCCO3)c2=O)n1
InChIInChI=1S/C21H22N4O4/c1-14-6-2-3-8-16(14)19-23-20(29-24-19)17-9-4-10-25(21(17)27)13-18(26)22-12-15-7-5-11-28-15/h2-4,6,8-10,15H,5,7,11-13H2,1H3,(H,22,26)/t15-/m0/s1
InChIKeyLAWSZHWUAZQSIK-HNNXBMFYSA-N
MW394.43 g/mol
LogP2.17
Rot. Bonds6

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

2-[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 51695550) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 2-[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID51695550
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name2-[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCc1ccccc1-c1noc(-c2cccn(CC(=O)NC[C@@H]3CCCO3)c2=O)n1
InChIInChI=1S/C21H22N4O4/c1-14-6-2-3-8-16(14)19-23-20(29-24-19)17-9-4-10-25(21(17)27)13-18(26)22-12-15-7-5-11-28-15/h2-4,6,8-10,15H,5,7,11-13H2,1H3,(H,22,26)/t15-/m0/s1
InChIKeyLAWSZHWUAZQSIK-HNNXBMFYSA-N
XLogP2.17
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[8-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 94683245
2-indol-1-yl-N-(oxolan-2-ylmethyl)acetamide
CID 5125884
2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(oxolan-2-ylmethyl)acetamide
CID 50746083
2-(3-methyl-1-oxoisoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 126478767
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 2023347
N-(oxolan-2-ylmethyl)-2-[2-oxo-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide
CID 51369407
N'-(2-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943680
2-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 39719201
3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 133209775
2-[6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 97046496
2-(N-acetyl-2-methylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113167272
2-(2-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 25272573

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 51695550) is 2-[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is Cc1ccccc1-c1noc(-c2cccn(CC(=O)NC[C@@H]3CCCO3)c2=O)n1.
What is the InChIKey of 2-[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is LAWSZHWUAZQSIK-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-14-6-2-3-8-16(14)19-23-20(29-24-19)17-9-4-10-25(21(17)27)13-18(26)22-12-15-7-5-11-28-15/h2-4,6,8-10,15H,5,7,11-13H2,1H3,(H,22,26)/t15-/m0/s1.
What are the key properties of 2-[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
2-[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 394.43 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 51695550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).