2-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C18H23N3O4 — CID 135101627

IUPAC2-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCOc1ccc(OC)c(C2CCN(CC(=O)Nc3cc(C)on3)C2)c1
InChIInChI=1S/C18H23N3O4/c1-12-8-17(20-25-12)19-18(22)11-21-7-6-13(10-21)15-9-14(23-2)4-5-16(15)24-3/h4-5,8-9,13H,6-7,10-11H2,1-3H3,(H,19,20,22)
InChIKeyPSZQOSNVCSTQLK-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.43
Rot. Bonds6

About 2-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 135101627) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID135101627
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name2-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCOc1ccc(OC)c(C2CCN(CC(=O)Nc3cc(C)on3)C2)c1
InChIInChI=1S/C18H23N3O4/c1-12-8-17(20-25-12)19-18(22)11-21-7-6-13(10-21)15-9-14(23-2)4-5-16(15)24-3/h4-5,8-9,13H,6-7,10-11H2,1-3H3,(H,19,20,22)
InChIKeyPSZQOSNVCSTQLK-UHFFFAOYSA-N
XLogP2.43
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 70755395
(3S)-3-(2,5-dimethoxyphenyl)-1-[(E)-2-methylbut-2-enyl]pyrrolidine
CID 95134904
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
CID 119933945
2-[4-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 55476132
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
CID 119922199
N-(2,4-dimethoxyphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)butanediamide
CID 863139
2-(2,4-dimethoxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 19058874
2-[4-(5-methoxy-3-pyridinyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 146109682
2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 8831486
2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7671843
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide
CID 86908992
[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone
CID 70716299

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 135101627) is 2-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is COc1ccc(OC)c(C2CCN(CC(=O)Nc3cc(C)on3)C2)c1.
What is the InChIKey of 2-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is PSZQOSNVCSTQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-12-8-17(20-25-12)19-18(22)11-21-7-6-13(10-21)15-9-14(23-2)4-5-16(15)24-3/h4-5,8-9,13H,6-7,10-11H2,1-3H3,(H,19,20,22).
What are the key properties of 2-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 345.40 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 135101627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).