3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazol-2-one

C18H26N4O5S — CID 42955973

IUPAC3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazol-2-one
SMILESCC1CN(S(=O)(=O)N2CCN(Cn3c(=O)oc4ccccc43)CC2)CC(C)O1
InChIInChI=1S/C18H26N4O5S/c1-14-11-21(12-15(2)26-14)28(24,25)20-9-7-19(8-10-20)13-22-16-5-3-4-6-17(16)27-18(22)23/h3-6,14-15H,7-13H2,1-2H3
InChIKeyAQRTUGPZICLKTJ-UHFFFAOYSA-N
MW410.50 g/mol
LogP0.52
Rot. Bonds4

About 3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazol-2-one

3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazol-2-one (PubChem CID 42955973) has the molecular formula C18H26N4O5S and a molecular weight of 410.50 g/mol. Its IUPAC name is 3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazol-2-one
PubChem CID42955973
Molecular FormulaC18H26N4O5S
Molecular Weight410.50 g/mol
Exact Mass410.16
IUPAC Name3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazol-2-one
SMILESCC1CN(S(=O)(=O)N2CCN(Cn3c(=O)oc4ccccc43)CC2)CC(C)O1
InChIInChI=1S/C18H26N4O5S/c1-14-11-21(12-15(2)26-14)28(24,25)20-9-7-19(8-10-20)13-22-16-5-3-4-6-17(16)27-18(22)23/h3-6,14-15H,7-13H2,1-2H3
InChIKeyAQRTUGPZICLKTJ-UHFFFAOYSA-N
XLogP0.52
TPSA88.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazol-2-one with MolForge

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Related Compounds

3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-benzoxazol-2-one
CID 25377942
3-[[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazol-2-one
CID 2663721
3-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-1,3-benzoxazol-2-one
CID 2497260
3-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazol-2-one
CID 42911287
2,6-dimethyl-4-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]sulfonylmorpholine
CID 46405709
3-[[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one
CID 30901046
3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,3-benzoxazol-2-one
CID 9206469
ethyl 4-[4-[(2-oxo-1,3-benzoxazol-3-yl)methyl]piperazin-1-yl]sulfonylbenzoate
CID 2077959
3-[[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazol-2-one
CID 27074799
2,6-dimethyl-4-(4-phenylpiperazin-1-yl)sulfonylmorpholine
CID 51330482
3-[2-[(3aR,5R,6S,7aS)-5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]ethyl]-1,3-benzoxazol-2-one
CID 77091507
3-(1,4-thiazepan-4-ylmethyl)-1,3-benzoxazol-2-one
CID 56813268

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazol-2-one (CID 42955973) is 3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazol-2-one is CC1CN(S(=O)(=O)N2CCN(Cn3c(=O)oc4ccccc43)CC2)CC(C)O1.
What is the InChIKey of 3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazol-2-one?
The InChIKey is AQRTUGPZICLKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O5S/c1-14-11-21(12-15(2)26-14)28(24,25)20-9-7-19(8-10-20)13-22-16-5-3-4-6-17(16)27-18(22)23/h3-6,14-15H,7-13H2,1-2H3.
What are the key properties of 3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazol-2-one?
3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazol-2-one has a molecular weight of 410.50 g/mol, XLogP of 0.52, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 42955973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).