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

C17H15ClN2O5S — CID 1185867

IUPAC4-[4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]morpholine
SMILESO=S(=O)(c1ccc(Cl)cc1)c1nc(-c2ccco2)oc1N1CCOCC1
InChIInChI=1S/C17H15ClN2O5S/c18-12-3-5-13(6-4-12)26(21,22)16-17(20-7-10-23-11-8-20)25-15(19-16)14-2-1-9-24-14/h1-6,9H,7-8,10-11H2
InChIKeyLAHHCZHSXZLMBT-UHFFFAOYSA-N
MW394.84 g/mol
LogP3.26
Rot. Bonds4

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

4-[4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]morpholine (PubChem CID 1185867) has the molecular formula C17H15ClN2O5S and a molecular weight of 394.84 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]morpholine
PubChem CID1185867
Molecular FormulaC17H15ClN2O5S
Molecular Weight394.84 g/mol
Exact Mass394.04
IUPAC Name4-[4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]morpholine
SMILESO=S(=O)(c1ccc(Cl)cc1)c1nc(-c2ccco2)oc1N1CCOCC1
InChIInChI=1S/C17H15ClN2O5S/c18-12-3-5-13(6-4-12)26(21,22)16-17(20-7-10-23-11-8-20)25-15(19-16)14-2-1-9-24-14/h1-6,9H,7-8,10-11H2
InChIKeyLAHHCZHSXZLMBT-UHFFFAOYSA-N
XLogP3.26
TPSA85.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.84
LogP ≤ 53.26
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-(furan-2-yl)-1,3-oxazol-5-yl]morpholine?
The IUPAC name of 4-[4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]morpholine (CID 1185867) is 4-[4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]morpholine.
What is the SMILES notation for 4-[4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]morpholine?
The canonical SMILES for 4-[4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]morpholine is O=S(=O)(c1ccc(Cl)cc1)c1nc(-c2ccco2)oc1N1CCOCC1.
What is the InChIKey of 4-[4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]morpholine?
The InChIKey is LAHHCZHSXZLMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O5S/c18-12-3-5-13(6-4-12)26(21,22)16-17(20-7-10-23-11-8-20)25-15(19-16)14-2-1-9-24-14/h1-6,9H,7-8,10-11H2.
What are the key properties of 4-[4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]morpholine?
4-[4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]morpholine has a molecular weight of 394.84 g/mol, XLogP of 3.26, 4 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-(furan-2-yl)-1,3-oxazol-5-yl]morpholine is sourced from PubChem (CID 1185867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).