5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]pyridin-2-one

C20H19N3O5 — CID 71794421

IUPAC5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]pyridin-2-one
SMILESCOc1ccc(OC)c(C(=O)Cn2cc(-c3nc(C4CC4)no3)ccc2=O)c1
InChIInChI=1S/C20H19N3O5/c1-26-14-6-7-17(27-2)15(9-14)16(24)11-23-10-13(5-8-18(23)25)20-21-19(22-28-20)12-3-4-12/h5-10,12H,3-4,11H2,1-2H3
InChIKeyCPNXYYBFLCNZAF-UHFFFAOYSA-N
MW381.39 g/mol
LogP2.68
Rot. Bonds7

About 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]pyridin-2-one

5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]pyridin-2-one (PubChem CID 71794421) has the molecular formula C20H19N3O5 and a molecular weight of 381.39 g/mol. Its IUPAC name is 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]pyridin-2-one
PubChem CID71794421
Molecular FormulaC20H19N3O5
Molecular Weight381.39 g/mol
Exact Mass381.13
IUPAC Name5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]pyridin-2-one
SMILESCOc1ccc(OC)c(C(=O)Cn2cc(-c3nc(C4CC4)no3)ccc2=O)c1
InChIInChI=1S/C20H19N3O5/c1-26-14-6-7-17(27-2)15(9-14)16(24)11-23-10-13(5-8-18(23)25)20-21-19(22-28-20)12-3-4-12/h5-10,12H,3-4,11H2,1-2H3
InChIKeyCPNXYYBFLCNZAF-UHFFFAOYSA-N
XLogP2.68
TPSA96.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]pyridin-2-one with MolForge

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxo-1-pyridinyl]acetamide
CID 53137285
2-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxo-1-pyridinyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 53137254
2-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide
CID 53137250
N-(2,5-dimethoxyphenyl)-2-[2-oxo-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide
CID 53137219
2-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxo-1-pyridinyl]-N-(4-ethylphenyl)acetamide
CID 53137256
2-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)acetamide
CID 53137270
3-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 53130631
5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyphenol
CID 79732351
1-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-one
CID 71794557
2-(aziridin-1-yl)-1-(2,5-dimethoxyphenyl)ethanone
CID 94683814
1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2,4-dimethoxyphenyl)methyl]imidazole-4-carboxamide
CID 53489769
2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 51369422

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]pyridin-2-one?
The IUPAC name of 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]pyridin-2-one (CID 71794421) is 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]pyridin-2-one is COc1ccc(OC)c(C(=O)Cn2cc(-c3nc(C4CC4)no3)ccc2=O)c1.
What is the InChIKey of 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]pyridin-2-one?
The InChIKey is CPNXYYBFLCNZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5/c1-26-14-6-7-17(27-2)15(9-14)16(24)11-23-10-13(5-8-18(23)25)20-21-19(22-28-20)12-3-4-12/h5-10,12H,3-4,11H2,1-2H3.
What are the key properties of 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]pyridin-2-one?
5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]pyridin-2-one has a molecular weight of 381.39 g/mol, XLogP of 2.68, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 71794421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).