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

C20H19ClN2O4S — CID 1206113

IUPAC4-[4-(4-chlorophenyl)sulfonyl-2-(3-methylphenyl)-1,3-oxazol-5-yl]morpholine
SMILESCc1cccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCOCC3)o2)c1
InChIInChI=1S/C20H19ClN2O4S/c1-14-3-2-4-15(13-14)18-22-19(20(27-18)23-9-11-26-12-10-23)28(24,25)17-7-5-16(21)6-8-17/h2-8,13H,9-12H2,1H3
InChIKeyRYXAKBDWXLROCH-UHFFFAOYSA-N
MW418.90 g/mol
LogP3.97
Rot. Bonds4

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

4-[4-(4-chlorophenyl)sulfonyl-2-(3-methylphenyl)-1,3-oxazol-5-yl]morpholine (PubChem CID 1206113) has the molecular formula C20H19ClN2O4S and a molecular weight of 418.90 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)sulfonyl-2-(3-methylphenyl)-1,3-oxazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)sulfonyl-2-(3-methylphenyl)-1,3-oxazol-5-yl]morpholine
PubChem CID1206113
Molecular FormulaC20H19ClN2O4S
Molecular Weight418.90 g/mol
Exact Mass418.08
IUPAC Name4-[4-(4-chlorophenyl)sulfonyl-2-(3-methylphenyl)-1,3-oxazol-5-yl]morpholine
SMILESCc1cccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCOCC3)o2)c1
InChIInChI=1S/C20H19ClN2O4S/c1-14-3-2-4-15(13-14)18-22-19(20(27-18)23-9-11-26-12-10-23)28(24,25)17-7-5-16(21)6-8-17/h2-8,13H,9-12H2,1H3
InChIKeyRYXAKBDWXLROCH-UHFFFAOYSA-N
XLogP3.97
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.90
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)sulfonyl-2-(3-methylphenyl)-1,3-oxazol-5-yl]morpholine?
The IUPAC name of 4-[4-(4-chlorophenyl)sulfonyl-2-(3-methylphenyl)-1,3-oxazol-5-yl]morpholine (CID 1206113) is 4-[4-(4-chlorophenyl)sulfonyl-2-(3-methylphenyl)-1,3-oxazol-5-yl]morpholine.
What is the SMILES notation for 4-[4-(4-chlorophenyl)sulfonyl-2-(3-methylphenyl)-1,3-oxazol-5-yl]morpholine?
The canonical SMILES for 4-[4-(4-chlorophenyl)sulfonyl-2-(3-methylphenyl)-1,3-oxazol-5-yl]morpholine is Cc1cccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCOCC3)o2)c1.
What is the InChIKey of 4-[4-(4-chlorophenyl)sulfonyl-2-(3-methylphenyl)-1,3-oxazol-5-yl]morpholine?
The InChIKey is RYXAKBDWXLROCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4S/c1-14-3-2-4-15(13-14)18-22-19(20(27-18)23-9-11-26-12-10-23)28(24,25)17-7-5-16(21)6-8-17/h2-8,13H,9-12H2,1H3.
What are the key properties of 4-[4-(4-chlorophenyl)sulfonyl-2-(3-methylphenyl)-1,3-oxazol-5-yl]morpholine?
4-[4-(4-chlorophenyl)sulfonyl-2-(3-methylphenyl)-1,3-oxazol-5-yl]morpholine has a molecular weight of 418.90 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)sulfonyl-2-(3-methylphenyl)-1,3-oxazol-5-yl]morpholine is sourced from PubChem (CID 1206113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).