2-methoxy-N-[5-[5-[1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-yl]acetamide

C23H28N6O6 — CID 75131310

IUPAC2-methoxy-N-[5-[5-[1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-yl]acetamide
SMILESCOCC(=O)Nc1ncncc1-c1noc(C2CCCN2Cc2cc(OC)c(OC)c(OC)c2)n1
InChIInChI=1S/C23H28N6O6/c1-31-12-19(30)26-21-15(10-24-13-25-21)22-27-23(35-28-22)16-6-5-7-29(16)11-14-8-17(32-2)20(34-4)18(9-14)33-3/h8-10,13,16H,5-7,11-12H2,1-4H3,(H,24,25,26,30)
InChIKeyMQAXTFAVUDSERN-UHFFFAOYSA-N
MW484.51 g/mol
LogP2.47
Rot. Bonds10

About 2-methoxy-N-[5-[5-[1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-yl]acetamide

2-methoxy-N-[5-[5-[1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-yl]acetamide (PubChem CID 75131310) has the molecular formula C23H28N6O6 and a molecular weight of 484.51 g/mol. Its IUPAC name is 2-methoxy-N-[5-[5-[1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-yl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[5-[5-[1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-yl]acetamide
PubChem CID75131310
Molecular FormulaC23H28N6O6
Molecular Weight484.51 g/mol
Exact Mass484.21
IUPAC Name2-methoxy-N-[5-[5-[1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-yl]acetamide
SMILESCOCC(=O)Nc1ncncc1-c1noc(C2CCCN2Cc2cc(OC)c(OC)c(OC)c2)n1
InChIInChI=1S/C23H28N6O6/c1-31-12-19(30)26-21-15(10-24-13-25-21)22-27-23(35-28-22)16-6-5-7-29(16)11-14-8-17(32-2)20(34-4)18(9-14)33-3/h8-10,13,16H,5-7,11-12H2,1-4H3,(H,24,25,26,30)
InChIKeyMQAXTFAVUDSERN-UHFFFAOYSA-N
XLogP2.47
TPSA133.96 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.51
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 2-methoxy-N-[5-[5-[1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-yl]acetamide with MolForge

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Related Compounds

3-(6-pyridin-4-yl-3-pyridinyl)-5-[(2S)-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 51136965
N-[5-[5-[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-2-methoxyacetamide
CID 162819862
2-methoxy-N-[5-[5-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]acetamide
CID 75131329
N-[5-[5-[(2R)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-2-methoxyacetamide
CID 162799175
N-[5-[5-[(2R)-1-(1-benzofuran-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-2-methoxyacetamide
CID 162810699
3-[2-(2-methoxyethoxy)-3-pyridinyl]-5-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 163164504
3-[4-(2-methoxyethoxy)-2-pyridinyl]-5-[(2R)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 162933789
N-[5-[5-[1-(1-acetylpiperidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-2-methoxyacetamide
CID 75131313
3-methyl-5-[(2S)-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 95079360
[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 90564112
3-[2-(2-methoxyethoxy)-4-pyridinyl]-5-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 75131050
3-[6-(2-methoxyethoxy)-3-pyridinyl]-5-[(2R)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 163128524

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[5-[5-[1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-yl]acetamide?
The IUPAC name of 2-methoxy-N-[5-[5-[1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-yl]acetamide (CID 75131310) is 2-methoxy-N-[5-[5-[1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-yl]acetamide.
What is the SMILES notation for 2-methoxy-N-[5-[5-[1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-yl]acetamide?
The canonical SMILES for 2-methoxy-N-[5-[5-[1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-yl]acetamide is COCC(=O)Nc1ncncc1-c1noc(C2CCCN2Cc2cc(OC)c(OC)c(OC)c2)n1.
What is the InChIKey of 2-methoxy-N-[5-[5-[1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-yl]acetamide?
The InChIKey is MQAXTFAVUDSERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O6/c1-31-12-19(30)26-21-15(10-24-13-25-21)22-27-23(35-28-22)16-6-5-7-29(16)11-14-8-17(32-2)20(34-4)18(9-14)33-3/h8-10,13,16H,5-7,11-12H2,1-4H3,(H,24,25,26,30).
What are the key properties of 2-methoxy-N-[5-[5-[1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-yl]acetamide?
2-methoxy-N-[5-[5-[1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-yl]acetamide has a molecular weight of 484.51 g/mol, XLogP of 2.47, 10 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[5-[5-[1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-yl]acetamide is sourced from PubChem (CID 75131310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).