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

C21H21ClN2O5S — CID 18826217

IUPAC4-[4-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)-1,3-oxazol-5-yl]morpholine
SMILESCCOc1ccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCOCC3)o2)cc1
InChIInChI=1S/C21H21ClN2O5S/c1-2-28-17-7-3-15(4-8-17)19-23-20(21(29-19)24-11-13-27-14-12-24)30(25,26)18-9-5-16(22)6-10-18/h3-10H,2,11-14H2,1H3
InChIKeyMVRDZGYLXUOTLI-UHFFFAOYSA-N
MW448.93 g/mol
LogP4.06
Rot. Bonds6

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

4-[4-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)-1,3-oxazol-5-yl]morpholine (PubChem CID 18826217) has the molecular formula C21H21ClN2O5S and a molecular weight of 448.93 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)-1,3-oxazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)-1,3-oxazol-5-yl]morpholine
PubChem CID18826217
Molecular FormulaC21H21ClN2O5S
Molecular Weight448.93 g/mol
Exact Mass448.09
IUPAC Name4-[4-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)-1,3-oxazol-5-yl]morpholine
SMILESCCOc1ccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCOCC3)o2)cc1
InChIInChI=1S/C21H21ClN2O5S/c1-2-28-17-7-3-15(4-8-17)19-23-20(21(29-19)24-11-13-27-14-12-24)30(25,26)18-9-5-16(22)6-10-18/h3-10H,2,11-14H2,1H3
InChIKeyMVRDZGYLXUOTLI-UHFFFAOYSA-N
XLogP4.06
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.93
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)-1,3-oxazol-5-yl]morpholine?
The IUPAC name of 4-[4-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)-1,3-oxazol-5-yl]morpholine (CID 18826217) is 4-[4-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)-1,3-oxazol-5-yl]morpholine.
What is the SMILES notation for 4-[4-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)-1,3-oxazol-5-yl]morpholine?
The canonical SMILES for 4-[4-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)-1,3-oxazol-5-yl]morpholine is CCOc1ccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCOCC3)o2)cc1.
What is the InChIKey of 4-[4-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)-1,3-oxazol-5-yl]morpholine?
The InChIKey is MVRDZGYLXUOTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O5S/c1-2-28-17-7-3-15(4-8-17)19-23-20(21(29-19)24-11-13-27-14-12-24)30(25,26)18-9-5-16(22)6-10-18/h3-10H,2,11-14H2,1H3.
What are the key properties of 4-[4-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)-1,3-oxazol-5-yl]morpholine?
4-[4-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)-1,3-oxazol-5-yl]morpholine has a molecular weight of 448.93 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)-1,3-oxazol-5-yl]morpholine is sourced from PubChem (CID 18826217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).