5-methyl-3-[2-[4-(5-methylsulfonylthiadiazol-4-yl)piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one

C18H20N4O5S2 — CID 95852161

IUPAC5-methyl-3-[2-[4-(5-methylsulfonylthiadiazol-4-yl)piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
SMILESCc1ccc2oc(=O)n(CC(=O)N3CCC(c4nnsc4S(C)(=O)=O)CC3)c2c1
InChIInChI=1S/C18H20N4O5S2/c1-11-3-4-14-13(9-11)22(18(24)27-14)10-15(23)21-7-5-12(6-8-21)16-17(28-20-19-16)29(2,25)26/h3-4,9,12H,5-8,10H2,1-2H3
InChIKeyAKIRHACBNXJDRB-UHFFFAOYSA-N
MW436.52 g/mol
LogP1.56
Rot. Bonds4

About 5-methyl-3-[2-[4-(5-methylsulfonylthiadiazol-4-yl)piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one

5-methyl-3-[2-[4-(5-methylsulfonylthiadiazol-4-yl)piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one (PubChem CID 95852161) has the molecular formula C18H20N4O5S2 and a molecular weight of 436.52 g/mol. Its IUPAC name is 5-methyl-3-[2-[4-(5-methylsulfonylthiadiazol-4-yl)piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-methyl-3-[2-[4-(5-methylsulfonylthiadiazol-4-yl)piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
PubChem CID95852161
Molecular FormulaC18H20N4O5S2
Molecular Weight436.52 g/mol
Exact Mass436.09
IUPAC Name5-methyl-3-[2-[4-(5-methylsulfonylthiadiazol-4-yl)piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
SMILESCc1ccc2oc(=O)n(CC(=O)N3CCC(c4nnsc4S(C)(=O)=O)CC3)c2c1
InChIInChI=1S/C18H20N4O5S2/c1-11-3-4-14-13(9-11)22(18(24)27-14)10-15(23)21-7-5-12(6-8-21)16-17(28-20-19-16)29(2,25)26/h3-4,9,12H,5-8,10H2,1-2H3
InChIKeyAKIRHACBNXJDRB-UHFFFAOYSA-N
XLogP1.56
TPSA115.37 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-methyl-3-[2-[4-(5-methylsulfonylthiadiazol-4-yl)piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one with MolForge

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Related Compounds

3-[2-[4-(dimethylamino)azepan-1-yl]-2-oxoethyl]-5-methyl-1,3-benzoxazol-2-one
CID 56911720
3-[3-[4-(5-methylsulfonylthiadiazol-4-yl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 95852150
2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetate
CID 2145483
3-[2-oxo-2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one
CID 71786887
3-[2-[(5S)-2,9-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-5-methyl-1,3-benzoxazol-2-one
CID 95211102
2-[1-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]piperidin-4-yl]acetamide
CID 56816591
6-methyl-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]quinazoline-4-carboxamide
CID 167826598
(2R)-1-methyl-4-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazine-2-carboxamide
CID 125023614
3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide
CID 50842162
3-[3-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-oxopropyl]-5-methyl-1,3-benzoxazol-2-one
CID 95221485
3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one
CID 2093488
3-[2-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 124951963

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[2-[4-(5-methylsulfonylthiadiazol-4-yl)piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one?
The IUPAC name of 5-methyl-3-[2-[4-(5-methylsulfonylthiadiazol-4-yl)piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one (CID 95852161) is 5-methyl-3-[2-[4-(5-methylsulfonylthiadiazol-4-yl)piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-methyl-3-[2-[4-(5-methylsulfonylthiadiazol-4-yl)piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 5-methyl-3-[2-[4-(5-methylsulfonylthiadiazol-4-yl)piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one is Cc1ccc2oc(=O)n(CC(=O)N3CCC(c4nnsc4S(C)(=O)=O)CC3)c2c1.
What is the InChIKey of 5-methyl-3-[2-[4-(5-methylsulfonylthiadiazol-4-yl)piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one?
The InChIKey is AKIRHACBNXJDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O5S2/c1-11-3-4-14-13(9-11)22(18(24)27-14)10-15(23)21-7-5-12(6-8-21)16-17(28-20-19-16)29(2,25)26/h3-4,9,12H,5-8,10H2,1-2H3.
What are the key properties of 5-methyl-3-[2-[4-(5-methylsulfonylthiadiazol-4-yl)piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one?
5-methyl-3-[2-[4-(5-methylsulfonylthiadiazol-4-yl)piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one has a molecular weight of 436.52 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[2-[4-(5-methylsulfonylthiadiazol-4-yl)piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 95852161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).