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

C17H20N4O5S — CID 110421389

IUPAC3-ethyl-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one
SMILESCCn1c(=O)oc2cc(S(=O)(=O)N3CCC(c4nnc(C)o4)CC3)ccc21
InChIInChI=1S/C17H20N4O5S/c1-3-21-14-5-4-13(10-15(14)26-17(21)22)27(23,24)20-8-6-12(7-9-20)16-19-18-11(2)25-16/h4-5,10,12H,3,6-9H2,1-2H3
InChIKeyOSDXRHDSOKJGIH-UHFFFAOYSA-N
MW392.44 g/mol
LogP1.87
Rot. Bonds4

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

3-ethyl-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one (PubChem CID 110421389) has the molecular formula C17H20N4O5S and a molecular weight of 392.44 g/mol. Its IUPAC name is 3-ethyl-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-ethyl-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one
PubChem CID110421389
Molecular FormulaC17H20N4O5S
Molecular Weight392.44 g/mol
Exact Mass392.12
IUPAC Name3-ethyl-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one
SMILESCCn1c(=O)oc2cc(S(=O)(=O)N3CCC(c4nnc(C)o4)CC3)ccc21
InChIInChI=1S/C17H20N4O5S/c1-3-21-14-5-4-13(10-15(14)26-17(21)22)27(23,24)20-8-6-12(7-9-20)16-19-18-11(2)25-16/h4-5,10,12H,3,6-9H2,1-2H3
InChIKeyOSDXRHDSOKJGIH-UHFFFAOYSA-N
XLogP1.87
TPSA111.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-6-(4-ethylpiperazin-1-yl)sulfonyl-1,3-benzoxazol-2-one
CID 53075674
3-ethyl-6-[3-(hydroxymethyl)piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one
CID 110311408
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-6-(4-methylpiperidin-1-yl)sulfonyl-1,3-benzoxazol-2-one
CID 53075641
N-(3,4-dimethylphenyl)-2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide
CID 53124861
2-methyl-5-[1-(3-nitrophenyl)sulfonylpiperidin-4-yl]-1,3,4-oxadiazole
CID 110423762
1-methyl-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one
CID 110424462
2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 53124845
2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]-N-(3-methylbutyl)acetamide
CID 53124862
2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 53124882
3-ethyl-6-[4-(3-methylbenzoyl)piperazin-1-yl]sulfonyl-1,3-benzoxazol-2-one
CID 53121305
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-6-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-one
CID 53006821
3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 63839677

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one?
The IUPAC name of 3-ethyl-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one (CID 110421389) is 3-ethyl-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-ethyl-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one?
The canonical SMILES for 3-ethyl-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one is CCn1c(=O)oc2cc(S(=O)(=O)N3CCC(c4nnc(C)o4)CC3)ccc21.
What is the InChIKey of 3-ethyl-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one?
The InChIKey is OSDXRHDSOKJGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O5S/c1-3-21-14-5-4-13(10-15(14)26-17(21)22)27(23,24)20-8-6-12(7-9-20)16-19-18-11(2)25-16/h4-5,10,12H,3,6-9H2,1-2H3.
What are the key properties of 3-ethyl-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one?
3-ethyl-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one has a molecular weight of 392.44 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 110421389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).