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

C22H22N6O4 — CID 94683245

IUPAC2-[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
SMILESCc1ccc(-c2noc(-c3cccn4c(=O)n(CC(=O)NC[C@H]5CCCO5)nc34)n2)cc1
InChIInChI=1S/C22H22N6O4/c1-14-6-8-15(9-7-14)19-24-21(32-26-19)17-5-2-10-27-20(17)25-28(22(27)30)13-18(29)23-12-16-4-3-11-31-16/h2,5-10,16H,3-4,11-13H2,1H3,(H,23,29)/t16-/m1/s1
InChIKeyDIHXPRGMZHXFRD-MRXNPFEDSA-N
MW434.46 g/mol
LogP1.82
Rot. Bonds6

About 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

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 (PubChem CID 94683245) has the molecular formula C22H22N6O4 and a molecular weight of 434.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID94683245
Molecular FormulaC22H22N6O4
Molecular Weight434.46 g/mol
Exact Mass434.17
IUPAC Name2-[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
SMILESCc1ccc(-c2noc(-c3cccn4c(=O)n(CC(=O)NC[C@H]5CCCO5)nc34)n2)cc1
InChIInChI=1S/C22H22N6O4/c1-14-6-8-15(9-7-14)19-24-21(32-26-19)17-5-2-10-27-20(17)25-28(22(27)30)13-18(29)23-12-16-4-3-11-31-16/h2,5-10,16H,3-4,11-13H2,1H3,(H,23,29)/t16-/m1/s1
InChIKeyDIHXPRGMZHXFRD-MRXNPFEDSA-N
XLogP1.82
TPSA116.55 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

2-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-8-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 94683252
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)-4-phenylbutan-2-yl]acetamide
CID 95181867
2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(oxolan-2-ylmethyl)acetamide
CID 50746083
2-[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 51695550
N-(5-chloro-2-methylphenyl)-2-[3-oxo-8-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide
CID 50841395
N-(2-ethylphenyl)-2-[8-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide
CID 50841415
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7713076
2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 39819010
2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7672128
2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7259332
2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7664292
2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 30479133

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(-c2noc(-c3cccn4c(=O)n(CC(=O)NC[C@H]5CCCO5)nc34)n2)cc1.
What is the InChIKey of 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?
The InChIKey is DIHXPRGMZHXFRD-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H22N6O4/c1-14-6-8-15(9-7-14)19-24-21(32-26-19)17-5-2-10-27-20(17)25-28(22(27)30)13-18(29)23-12-16-4-3-11-31-16/h2,5-10,16H,3-4,11-13H2,1H3,(H,23,29)/t16-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 434.46 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 94683245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).