6-[5-(1-acetylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-3-methyl-1,3-benzoxazol-2-one

C17H18N4O4 — CID 53139242

IUPAC6-[5-(1-acetylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-3-methyl-1,3-benzoxazol-2-one
SMILESCC(=O)N1CCC(c2nc(-c3ccc4c(c3)oc(=O)n4C)no2)CC1
InChIInChI=1S/C17H18N4O4/c1-10(22)21-7-5-11(6-8-21)16-18-15(19-25-16)12-3-4-13-14(9-12)24-17(23)20(13)2/h3-4,9,11H,5-8H2,1-2H3
InChIKeyKZXQPMZUGJAZGA-UHFFFAOYSA-N
MW342.36 g/mol
LogP1.91
Rot. Bonds2

About 6-[5-(1-acetylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-3-methyl-1,3-benzoxazol-2-one

6-[5-(1-acetylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-3-methyl-1,3-benzoxazol-2-one (PubChem CID 53139242) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is 6-[5-(1-acetylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[5-(1-acetylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-3-methyl-1,3-benzoxazol-2-one
PubChem CID53139242
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name6-[5-(1-acetylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-3-methyl-1,3-benzoxazol-2-one
SMILESCC(=O)N1CCC(c2nc(-c3ccc4c(c3)oc(=O)n4C)no2)CC1
InChIInChI=1S/C17H18N4O4/c1-10(22)21-7-5-11(6-8-21)16-18-15(19-25-16)12-3-4-13-14(9-12)24-17(23)20(13)2/h3-4,9,11H,5-8H2,1-2H3
InChIKeyKZXQPMZUGJAZGA-UHFFFAOYSA-N
XLogP1.91
TPSA94.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[5-(1-acetylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-3-methyl-1,3-benzoxazol-2-one with MolForge

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Related Compounds

1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 812457
1-[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 42760505
(3,5-dimethylphenyl)-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 53051382
1-[4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one
CID 46096475
4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylic acid
CID 67253358
(3-methyl-1,2-oxazol-5-yl)-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 91946404
1-[4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one
CID 134478036
6-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-3-methyl-1,3-benzoxazol-2-one
CID 53139211
1-[4-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 42760259
5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,2-oxazole-3-carboxylic acid
CID 82500452
4-[3-(1-methylindazol-6-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide
CID 139003901
methyl 4-[3-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 134477500

Frequently Asked Questions

What is the IUPAC name of 6-[5-(1-acetylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 6-[5-(1-acetylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-3-methyl-1,3-benzoxazol-2-one (CID 53139242) is 6-[5-(1-acetylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[5-(1-acetylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[5-(1-acetylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-3-methyl-1,3-benzoxazol-2-one is CC(=O)N1CCC(c2nc(-c3ccc4c(c3)oc(=O)n4C)no2)CC1.
What is the InChIKey of 6-[5-(1-acetylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is KZXQPMZUGJAZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c1-10(22)21-7-5-11(6-8-21)16-18-15(19-25-16)12-3-4-13-14(9-12)24-17(23)20(13)2/h3-4,9,11H,5-8H2,1-2H3.
What are the key properties of 6-[5-(1-acetylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-3-methyl-1,3-benzoxazol-2-one?
6-[5-(1-acetylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 342.36 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(1-acetylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 53139242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).