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

C19H15N3O5 — CID 71794576

IUPAC1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-one
SMILESO=C(Cn1cccc(-c2nc(C3CC3)no2)c1=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H15N3O5/c23-14(12-5-6-15-16(8-12)26-10-25-15)9-22-7-1-2-13(19(22)24)18-20-17(21-27-18)11-3-4-11/h1-2,5-8,11H,3-4,9-10H2
InChIKeyCZRQRIHTFZWWHT-UHFFFAOYSA-N
MW365.35 g/mol
LogP2.39
Rot. Bonds5

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

1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-one (PubChem CID 71794576) has the molecular formula C19H15N3O5 and a molecular weight of 365.35 g/mol. Its IUPAC name is 1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-one
PubChem CID71794576
Molecular FormulaC19H15N3O5
Molecular Weight365.35 g/mol
Exact Mass365.10
IUPAC Name1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-one
SMILESO=C(Cn1cccc(-c2nc(C3CC3)no2)c1=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H15N3O5/c23-14(12-5-6-15-16(8-12)26-10-25-15)9-22-7-1-2-13(19(22)24)18-20-17(21-27-18)11-3-4-11/h1-2,5-8,11H,3-4,9-10H2
InChIKeyCZRQRIHTFZWWHT-UHFFFAOYSA-N
XLogP2.39
TPSA96.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-one?
The IUPAC name of 1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-one (CID 71794576) is 1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-one.
What is the SMILES notation for 1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-one?
The canonical SMILES for 1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-one is O=C(Cn1cccc(-c2nc(C3CC3)no2)c1=O)c1ccc2c(c1)OCO2.
What is the InChIKey of 1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-one?
The InChIKey is CZRQRIHTFZWWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O5/c23-14(12-5-6-15-16(8-12)26-10-25-15)9-22-7-1-2-13(19(22)24)18-20-17(21-27-18)11-3-4-11/h1-2,5-8,11H,3-4,9-10H2.
What are the key properties of 1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-one?
1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-one has a molecular weight of 365.35 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-one is sourced from PubChem (CID 71794576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).