4-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]-2,6-dimethylmorpholine

C21H22N2O4S — CID 2964742

IUPAC4-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]-2,6-dimethylmorpholine
SMILESCC1CN(c2oc(-c3ccccc3)nc2S(=O)(=O)c2ccccc2)CC(C)O1
InChIInChI=1S/C21H22N2O4S/c1-15-13-23(14-16(2)26-15)21-20(28(24,25)18-11-7-4-8-12-18)22-19(27-21)17-9-5-3-6-10-17/h3-12,15-16H,13-14H2,1-2H3
InChIKeyXAVAWHREIADHOV-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.79
Rot. Bonds4

About 4-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]-2,6-dimethylmorpholine

4-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]-2,6-dimethylmorpholine (PubChem CID 2964742) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is 4-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]-2,6-dimethylmorpholine
PubChem CID2964742
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC Name4-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]-2,6-dimethylmorpholine
SMILESCC1CN(c2oc(-c3ccccc3)nc2S(=O)(=O)c2ccccc2)CC(C)O1
InChIInChI=1S/C21H22N2O4S/c1-15-13-23(14-16(2)26-15)21-20(28(24,25)18-11-7-4-8-12-18)22-19(27-21)17-9-5-3-6-10-17/h3-12,15-16H,13-14H2,1-2H3
InChIKeyXAVAWHREIADHOV-UHFFFAOYSA-N
XLogP3.79
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]-2,6-dimethylmorpholine (CID 2964742) is 4-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]-2,6-dimethylmorpholine is CC1CN(c2oc(-c3ccccc3)nc2S(=O)(=O)c2ccccc2)CC(C)O1.
What is the InChIKey of 4-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]-2,6-dimethylmorpholine?
The InChIKey is XAVAWHREIADHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-15-13-23(14-16(2)26-15)21-20(28(24,25)18-11-7-4-8-12-18)22-19(27-21)17-9-5-3-6-10-17/h3-12,15-16H,13-14H2,1-2H3.
What are the key properties of 4-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]-2,6-dimethylmorpholine?
4-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]-2,6-dimethylmorpholine has a molecular weight of 398.48 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]-2,6-dimethylmorpholine is sourced from PubChem (CID 2964742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).