4-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-1-methylpyridin-2-one

C15H11N3O4 — CID 47059089

IUPAC4-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-1-methylpyridin-2-one
SMILESCn1ccc(-c2nnc(-c3ccc4c(c3)OCO4)o2)cc1=O
InChIInChI=1S/C15H11N3O4/c1-18-5-4-10(7-13(18)19)15-17-16-14(22-15)9-2-3-11-12(6-9)21-8-20-11/h2-7H,8H2,1H3
InChIKeyCRRJJIACMQJFHB-UHFFFAOYSA-N
MW297.27 g/mol
LogP1.83
Rot. Bonds2

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

4-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-1-methylpyridin-2-one (PubChem CID 47059089) has the molecular formula C15H11N3O4 and a molecular weight of 297.27 g/mol. Its IUPAC name is 4-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-1-methylpyridin-2-one
PubChem CID47059089
Molecular FormulaC15H11N3O4
Molecular Weight297.27 g/mol
Exact Mass297.07
IUPAC Name4-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-1-methylpyridin-2-one
SMILESCn1ccc(-c2nnc(-c3ccc4c(c3)OCO4)o2)cc1=O
InChIInChI=1S/C15H11N3O4/c1-18-5-4-10(7-13(18)19)15-17-16-14(22-15)9-2-3-11-12(6-9)21-8-20-11/h2-7H,8H2,1H3
InChIKeyCRRJJIACMQJFHB-UHFFFAOYSA-N
XLogP1.83
TPSA79.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-1-methylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,3-benzodioxol-5-yl)-5-(3,4-dichlorophenyl)-1,3,4-oxadiazole
CID 903866
4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-methylpyridin-2-one
CID 146309641
5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazole-2-carbonitrile
CID 154190788
(3R,5R)-3-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-5-methyloxolan-2-one
CID 40972772
2-(1,3-benzodioxol-5-yl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole
CID 756146
N'-acetyl-2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetohydrazide
CID 9361749
3-(1,3-benzodioxol-5-yl)-1-methylpyrazol-5-amine
CID 43158870
2-amino-2-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]acetic acid
CID 82363363
2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 7857288
2-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazole
CID 2372912
2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2R)-butan-2-yl]acetamide
CID 7457667
methyl (2R)-2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate
CID 9361963

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-1-methylpyridin-2-one?
The IUPAC name of 4-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-1-methylpyridin-2-one (CID 47059089) is 4-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-1-methylpyridin-2-one is Cn1ccc(-c2nnc(-c3ccc4c(c3)OCO4)o2)cc1=O.
What is the InChIKey of 4-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-1-methylpyridin-2-one?
The InChIKey is CRRJJIACMQJFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O4/c1-18-5-4-10(7-13(18)19)15-17-16-14(22-15)9-2-3-11-12(6-9)21-8-20-11/h2-7H,8H2,1H3.
What are the key properties of 4-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-1-methylpyridin-2-one?
4-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-1-methylpyridin-2-one has a molecular weight of 297.27 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 47059089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).