5-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one

C15H11N3O4 — CID 136664711

IUPAC5-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one
SMILESO=c1ccc(-c2noc(C3COc4ccccc4O3)n2)c[nH]1
InChIInChI=1S/C15H11N3O4/c19-13-6-5-9(7-16-13)14-17-15(22-18-14)12-8-20-10-3-1-2-4-11(10)21-12/h1-7,12H,8H2,(H,16,19)
InChIKeySCLQIMMDSXLPPA-UHFFFAOYSA-N
MW297.27 g/mol
LogP1.94
Rot. Bonds2

About 5-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one

5-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one (PubChem CID 136664711) has the molecular formula C15H11N3O4 and a molecular weight of 297.27 g/mol. Its IUPAC name is 5-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one
PubChem CID136664711
Molecular FormulaC15H11N3O4
Molecular Weight297.27 g/mol
Exact Mass297.07
IUPAC Name5-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one
SMILESO=c1ccc(-c2noc(C3COc4ccccc4O3)n2)c[nH]1
InChIInChI=1S/C15H11N3O4/c19-13-6-5-9(7-16-13)14-17-15(22-18-14)12-8-20-10-3-1-2-4-11(10)21-12/h1-7,12H,8H2,(H,16,19)
InChIKeySCLQIMMDSXLPPA-UHFFFAOYSA-N
XLogP1.94
TPSA90.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one with MolForge

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Related Compounds

5-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 17015658
3-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971723
5-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916956
ethyl 5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazole-3-carboxylate
CID 63379720
1-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096202
N-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 62342567
2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazine
CID 43093603
4-[3-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
CID 83191926
2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-5-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 41074381
2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-5-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 25388136
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 43050983
3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-5-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97330359

Frequently Asked Questions

What is the IUPAC name of 5-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one?
The IUPAC name of 5-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one (CID 136664711) is 5-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one is O=c1ccc(-c2noc(C3COc4ccccc4O3)n2)c[nH]1.
What is the InChIKey of 5-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one?
The InChIKey is SCLQIMMDSXLPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O4/c19-13-6-5-9(7-16-13)14-17-15(22-18-14)12-8-20-10-3-1-2-4-11(10)21-12/h1-7,12H,8H2,(H,16,19).
What are the key properties of 5-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one?
5-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one has a molecular weight of 297.27 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one is sourced from PubChem (CID 136664711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).