4-acetyl-N-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]benzamide

C19H15N3O5 — CID 3400052

IUPAC4-acetyl-N-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCC(=O)c1ccc(C(=O)Nc2nnc(C3COc4ccccc4O3)o2)cc1
InChIInChI=1S/C19H15N3O5/c1-11(23)12-6-8-13(9-7-12)17(24)20-19-22-21-18(27-19)16-10-25-14-4-2-3-5-15(14)26-16/h2-9,16H,10H2,1H3,(H,20,22,24)
InChIKeyKTCJHXSRVGNKIE-UHFFFAOYSA-N
MW365.35 g/mol
LogP3.04
Rot. Bonds4

About 4-acetyl-N-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]benzamide

4-acetyl-N-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 3400052) has the molecular formula C19H15N3O5 and a molecular weight of 365.35 g/mol. Its IUPAC name is 4-acetyl-N-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-acetyl-N-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID3400052
Molecular FormulaC19H15N3O5
Molecular Weight365.35 g/mol
Exact Mass365.10
IUPAC Name4-acetyl-N-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCC(=O)c1ccc(C(=O)Nc2nnc(C3COc4ccccc4O3)o2)cc1
InChIInChI=1S/C19H15N3O5/c1-11(23)12-6-8-13(9-7-12)17(24)20-19-22-21-18(27-19)16-10-25-14-4-2-3-5-15(14)26-16/h2-9,16H,10H2,1H3,(H,20,22,24)
InChIKeyKTCJHXSRVGNKIE-UHFFFAOYSA-N
XLogP3.04
TPSA103.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-acetyl-N-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]benzamide with MolForge

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Related Compounds

methyl 4-[[5-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate
CID 7158241
N-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
CID 4151913
N-[5-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-1,3,4-oxadiazol-2-yl]-3-methylbenzamide
CID 7158202
N-[5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1,3,4-oxadiazol-2-yl]-4-pentoxybenzamide
CID 8017592
N-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 4188139
N-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]-3-methoxybenzamide
CID 5153054
N-[5-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-1,3,4-oxadiazol-2-yl]-3-methoxybenzamide
CID 7158216
4-[butyl(methyl)sulfamoyl]-N-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4170406
N-[5-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-1,3,4-oxadiazol-2-yl]-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide
CID 41066800
2-chloro-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazole
CID 114771029
(E)-N-[5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1,3,4-oxadiazol-2-yl]-3-(5-nitrothiophen-2-yl)prop-2-enamide
CID 41066831
N-[4-[2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]phenyl]propanamide
CID 43031702

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-acetyl-N-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]benzamide (CID 3400052) is 4-acetyl-N-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-acetyl-N-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-acetyl-N-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]benzamide is CC(=O)c1ccc(C(=O)Nc2nnc(C3COc4ccccc4O3)o2)cc1.
What is the InChIKey of 4-acetyl-N-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is KTCJHXSRVGNKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O5/c1-11(23)12-6-8-13(9-7-12)17(24)20-19-22-21-18(27-19)16-10-25-14-4-2-3-5-15(14)26-16/h2-9,16H,10H2,1H3,(H,20,22,24).
What are the key properties of 4-acetyl-N-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]benzamide?
4-acetyl-N-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 365.35 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 3400052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).