4-[2-(4-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,3-oxazol-5-yl]-2,6-dimethylmorpholine

C23H23ClN2O6S — CID 16649704

IUPAC4-[2-(4-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,3-oxazol-5-yl]-2,6-dimethylmorpholine
SMILESCC1CN(c2oc(-c3ccc(Cl)cc3)nc2S(=O)(=O)c2ccc3c(c2)OCCO3)CC(C)O1
InChIInChI=1S/C23H23ClN2O6S/c1-14-12-26(13-15(2)31-14)23-22(25-21(32-23)16-3-5-17(24)6-4-16)33(27,28)18-7-8-19-20(11-18)30-10-9-29-19/h3-8,11,14-15H,9-10,12-13H2,1-2H3
InChIKeyBUZOBLQYSMIGHD-UHFFFAOYSA-N
MW490.97 g/mol
LogP4.21
Rot. Bonds4

About 4-[2-(4-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,3-oxazol-5-yl]-2,6-dimethylmorpholine

4-[2-(4-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,3-oxazol-5-yl]-2,6-dimethylmorpholine (PubChem CID 16649704) has the molecular formula C23H23ClN2O6S and a molecular weight of 490.97 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,3-oxazol-5-yl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,3-oxazol-5-yl]-2,6-dimethylmorpholine
PubChem CID16649704
Molecular FormulaC23H23ClN2O6S
Molecular Weight490.97 g/mol
Exact Mass490.10
IUPAC Name4-[2-(4-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,3-oxazol-5-yl]-2,6-dimethylmorpholine
SMILESCC1CN(c2oc(-c3ccc(Cl)cc3)nc2S(=O)(=O)c2ccc3c(c2)OCCO3)CC(C)O1
InChIInChI=1S/C23H23ClN2O6S/c1-14-12-26(13-15(2)31-14)23-22(25-21(32-23)16-3-5-17(24)6-4-16)33(27,28)18-7-8-19-20(11-18)30-10-9-29-19/h3-8,11,14-15H,9-10,12-13H2,1-2H3
InChIKeyBUZOBLQYSMIGHD-UHFFFAOYSA-N
XLogP4.21
TPSA91.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.97
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,3-oxazol-5-yl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[2-(4-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,3-oxazol-5-yl]-2,6-dimethylmorpholine (CID 16649704) is 4-[2-(4-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,3-oxazol-5-yl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[2-(4-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,3-oxazol-5-yl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[2-(4-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,3-oxazol-5-yl]-2,6-dimethylmorpholine is CC1CN(c2oc(-c3ccc(Cl)cc3)nc2S(=O)(=O)c2ccc3c(c2)OCCO3)CC(C)O1.
What is the InChIKey of 4-[2-(4-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,3-oxazol-5-yl]-2,6-dimethylmorpholine?
The InChIKey is BUZOBLQYSMIGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O6S/c1-14-12-26(13-15(2)31-14)23-22(25-21(32-23)16-3-5-17(24)6-4-16)33(27,28)18-7-8-19-20(11-18)30-10-9-29-19/h3-8,11,14-15H,9-10,12-13H2,1-2H3.
What are the key properties of 4-[2-(4-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,3-oxazol-5-yl]-2,6-dimethylmorpholine?
4-[2-(4-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,3-oxazol-5-yl]-2,6-dimethylmorpholine has a molecular weight of 490.97 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,3-oxazol-5-yl]-2,6-dimethylmorpholine is sourced from PubChem (CID 16649704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).