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

C18H17N3O5 — CID 71794557

IUPAC1-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-one
SMILESCOc1ccc(OC)c(C(=O)Cn2cccc(-c3nc(C)no3)c2=O)c1
InChIInChI=1S/C18H17N3O5/c1-11-19-17(26-20-11)13-5-4-8-21(18(13)23)10-15(22)14-9-12(24-2)6-7-16(14)25-3/h4-9H,10H2,1-3H3
InChIKeyPBYULXNXXIJLPI-UHFFFAOYSA-N
MW355.35 g/mol
LogP2.11
Rot. Bonds6

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

1-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-one (PubChem CID 71794557) has the molecular formula C18H17N3O5 and a molecular weight of 355.35 g/mol. Its IUPAC name is 1-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-one
PubChem CID71794557
Molecular FormulaC18H17N3O5
Molecular Weight355.35 g/mol
Exact Mass355.12
IUPAC Name1-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-one
SMILESCOc1ccc(OC)c(C(=O)Cn2cccc(-c3nc(C)no3)c2=O)c1
InChIInChI=1S/C18H17N3O5/c1-11-19-17(26-20-11)13-5-4-8-21(18(13)23)10-15(22)14-9-12(24-2)6-7-16(14)25-3/h4-9H,10H2,1-3H3
InChIKeyPBYULXNXXIJLPI-UHFFFAOYSA-N
XLogP2.11
TPSA96.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-one?
The IUPAC name of 1-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-one (CID 71794557) is 1-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-one.
What is the SMILES notation for 1-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-one?
The canonical SMILES for 1-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-one is COc1ccc(OC)c(C(=O)Cn2cccc(-c3nc(C)no3)c2=O)c1.
What is the InChIKey of 1-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-one?
The InChIKey is PBYULXNXXIJLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5/c1-11-19-17(26-20-11)13-5-4-8-21(18(13)23)10-15(22)14-9-12(24-2)6-7-16(14)25-3/h4-9H,10H2,1-3H3.
What are the key properties of 1-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-one?
1-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-one has a molecular weight of 355.35 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-one is sourced from PubChem (CID 71794557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).