4-[2-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]morpholine

C21H22N2O4S — CID 1070710

IUPAC4-[2-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]morpholine
SMILESCc1ccc(-c2nc(S(=O)(=O)c3ccc(C)cc3)c(N3CCOCC3)o2)cc1
InChIInChI=1S/C21H22N2O4S/c1-15-3-7-17(8-4-15)19-22-20(21(27-19)23-11-13-26-14-12-23)28(24,25)18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3
InChIKeyPGIZYVMPMSSGJR-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.63
Rot. Bonds4

About 4-[2-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]morpholine

4-[2-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]morpholine (PubChem CID 1070710) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is 4-[2-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[2-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]morpholine
PubChem CID1070710
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC Name4-[2-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]morpholine
SMILESCc1ccc(-c2nc(S(=O)(=O)c3ccc(C)cc3)c(N3CCOCC3)o2)cc1
InChIInChI=1S/C21H22N2O4S/c1-15-3-7-17(8-4-15)19-22-20(21(27-19)23-11-13-26-14-12-23)28(24,25)18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3
InChIKeyPGIZYVMPMSSGJR-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]morpholine?
The IUPAC name of 4-[2-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]morpholine (CID 1070710) is 4-[2-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]morpholine.
What is the SMILES notation for 4-[2-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]morpholine?
The canonical SMILES for 4-[2-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]morpholine is Cc1ccc(-c2nc(S(=O)(=O)c3ccc(C)cc3)c(N3CCOCC3)o2)cc1.
What is the InChIKey of 4-[2-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]morpholine?
The InChIKey is PGIZYVMPMSSGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-15-3-7-17(8-4-15)19-22-20(21(27-19)23-11-13-26-14-12-23)28(24,25)18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3.
What are the key properties of 4-[2-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]morpholine?
4-[2-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]morpholine has a molecular weight of 398.48 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]morpholine is sourced from PubChem (CID 1070710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).