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

C22H24N2O4S — CID 18824824

IUPAC4-[4-(benzenesulfonyl)-2-(3-methylphenyl)-1,3-oxazol-5-yl]-2,6-dimethylmorpholine
SMILESCc1cccc(-c2nc(S(=O)(=O)c3ccccc3)c(N3CC(C)OC(C)C3)o2)c1
InChIInChI=1S/C22H24N2O4S/c1-15-8-7-9-18(12-15)20-23-21(29(25,26)19-10-5-4-6-11-19)22(28-20)24-13-16(2)27-17(3)14-24/h4-12,16-17H,13-14H2,1-3H3
InChIKeyADSHLUUDPHIKEX-UHFFFAOYSA-N
MW412.51 g/mol
LogP4.10
Rot. Bonds4

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

4-[4-(benzenesulfonyl)-2-(3-methylphenyl)-1,3-oxazol-5-yl]-2,6-dimethylmorpholine (PubChem CID 18824824) has the molecular formula C22H24N2O4S and a molecular weight of 412.51 g/mol. Its IUPAC name is 4-[4-(benzenesulfonyl)-2-(3-methylphenyl)-1,3-oxazol-5-yl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[4-(benzenesulfonyl)-2-(3-methylphenyl)-1,3-oxazol-5-yl]-2,6-dimethylmorpholine
PubChem CID18824824
Molecular FormulaC22H24N2O4S
Molecular Weight412.51 g/mol
Exact Mass412.15
IUPAC Name4-[4-(benzenesulfonyl)-2-(3-methylphenyl)-1,3-oxazol-5-yl]-2,6-dimethylmorpholine
SMILESCc1cccc(-c2nc(S(=O)(=O)c3ccccc3)c(N3CC(C)OC(C)C3)o2)c1
InChIInChI=1S/C22H24N2O4S/c1-15-8-7-9-18(12-15)20-23-21(29(25,26)19-10-5-4-6-11-19)22(28-20)24-13-16(2)27-17(3)14-24/h4-12,16-17H,13-14H2,1-3H3
InChIKeyADSHLUUDPHIKEX-UHFFFAOYSA-N
XLogP4.10
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 54.10
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-(3-methylphenyl)-1,3-oxazol-5-yl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[4-(benzenesulfonyl)-2-(3-methylphenyl)-1,3-oxazol-5-yl]-2,6-dimethylmorpholine (CID 18824824) is 4-[4-(benzenesulfonyl)-2-(3-methylphenyl)-1,3-oxazol-5-yl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[4-(benzenesulfonyl)-2-(3-methylphenyl)-1,3-oxazol-5-yl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[4-(benzenesulfonyl)-2-(3-methylphenyl)-1,3-oxazol-5-yl]-2,6-dimethylmorpholine is Cc1cccc(-c2nc(S(=O)(=O)c3ccccc3)c(N3CC(C)OC(C)C3)o2)c1.
What is the InChIKey of 4-[4-(benzenesulfonyl)-2-(3-methylphenyl)-1,3-oxazol-5-yl]-2,6-dimethylmorpholine?
The InChIKey is ADSHLUUDPHIKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4S/c1-15-8-7-9-18(12-15)20-23-21(29(25,26)19-10-5-4-6-11-19)22(28-20)24-13-16(2)27-17(3)14-24/h4-12,16-17H,13-14H2,1-3H3.
What are the key properties of 4-[4-(benzenesulfonyl)-2-(3-methylphenyl)-1,3-oxazol-5-yl]-2,6-dimethylmorpholine?
4-[4-(benzenesulfonyl)-2-(3-methylphenyl)-1,3-oxazol-5-yl]-2,6-dimethylmorpholine has a molecular weight of 412.51 g/mol, XLogP of 4.10, 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-(3-methylphenyl)-1,3-oxazol-5-yl]-2,6-dimethylmorpholine is sourced from PubChem (CID 18824824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).