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

C19H16Cl2N2O4S — CID 987252

IUPAC4-[2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-1,3-oxazol-5-yl]morpholine
SMILESO=S(=O)(c1ccc(Cl)cc1)c1nc(-c2ccccc2Cl)oc1N1CCOCC1
InChIInChI=1S/C19H16Cl2N2O4S/c20-13-5-7-14(8-6-13)28(24,25)18-19(23-9-11-26-12-10-23)27-17(22-18)15-3-1-2-4-16(15)21/h1-8H,9-12H2
InChIKeyVHMXEHYOUCTCIL-UHFFFAOYSA-N
MW439.32 g/mol
LogP4.32
Rot. Bonds4

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

4-[2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-1,3-oxazol-5-yl]morpholine (PubChem CID 987252) has the molecular formula C19H16Cl2N2O4S and a molecular weight of 439.32 g/mol. Its IUPAC name is 4-[2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-1,3-oxazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-1,3-oxazol-5-yl]morpholine
PubChem CID987252
Molecular FormulaC19H16Cl2N2O4S
Molecular Weight439.32 g/mol
Exact Mass438.02
IUPAC Name4-[2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-1,3-oxazol-5-yl]morpholine
SMILESO=S(=O)(c1ccc(Cl)cc1)c1nc(-c2ccccc2Cl)oc1N1CCOCC1
InChIInChI=1S/C19H16Cl2N2O4S/c20-13-5-7-14(8-6-13)28(24,25)18-19(23-9-11-26-12-10-23)27-17(22-18)15-3-1-2-4-16(15)21/h1-8H,9-12H2
InChIKeyVHMXEHYOUCTCIL-UHFFFAOYSA-N
XLogP4.32
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.32
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-1,3-oxazol-5-yl]morpholine?
The IUPAC name of 4-[2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-1,3-oxazol-5-yl]morpholine (CID 987252) is 4-[2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-1,3-oxazol-5-yl]morpholine.
What is the SMILES notation for 4-[2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-1,3-oxazol-5-yl]morpholine?
The canonical SMILES for 4-[2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-1,3-oxazol-5-yl]morpholine is O=S(=O)(c1ccc(Cl)cc1)c1nc(-c2ccccc2Cl)oc1N1CCOCC1.
What is the InChIKey of 4-[2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-1,3-oxazol-5-yl]morpholine?
The InChIKey is VHMXEHYOUCTCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O4S/c20-13-5-7-14(8-6-13)28(24,25)18-19(23-9-11-26-12-10-23)27-17(22-18)15-3-1-2-4-16(15)21/h1-8H,9-12H2.
What are the key properties of 4-[2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-1,3-oxazol-5-yl]morpholine?
4-[2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-1,3-oxazol-5-yl]morpholine has a molecular weight of 439.32 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-1,3-oxazol-5-yl]morpholine is sourced from PubChem (CID 987252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).