(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-morpholin-4-ylsulfonylbenzoate

C19H18N2O6S2 — CID 16870215

IUPAC(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-morpholin-4-ylsulfonylbenzoate
SMILESO=C(OCc1cc(-c2cccs2)on1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H18N2O6S2/c22-19(26-13-15-12-17(27-20-15)18-2-1-11-28-18)14-3-5-16(6-4-14)29(23,24)21-7-9-25-10-8-21/h1-6,11-12H,7-10,13H2
InChIKeyCRSSQFOPWAOZIN-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.78
Rot. Bonds6

About (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-morpholin-4-ylsulfonylbenzoate

(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-morpholin-4-ylsulfonylbenzoate (PubChem CID 16870215) has the molecular formula C19H18N2O6S2 and a molecular weight of 434.50 g/mol. Its IUPAC name is (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-morpholin-4-ylsulfonylbenzoate
PubChem CID16870215
Molecular FormulaC19H18N2O6S2
Molecular Weight434.50 g/mol
Exact Mass434.06
IUPAC Name(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-morpholin-4-ylsulfonylbenzoate
SMILESO=C(OCc1cc(-c2cccs2)on1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H18N2O6S2/c22-19(26-13-15-12-17(27-20-15)18-2-1-11-28-18)14-3-5-16(6-4-14)29(23,24)21-7-9-25-10-8-21/h1-6,11-12H,7-10,13H2
InChIKeyCRSSQFOPWAOZIN-UHFFFAOYSA-N
XLogP2.78
TPSA98.94 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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[5-(Thiophen-2-yl)-1,2-oxazol-3-yl]methyl 3-fluorobenzoate
CID 16870177
[5-(2-Fluorophenyl)-1,2-oxazol-3-yl]methyl 4-(morpholine-4-sulfonyl)benzoate
CID 27370210
(5-(2-Fluorophenyl)isoxazol-3-yl)methyl thiophene-2-carboxylate
CID 27370212
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CID 8647313
(5-(thiophen-2-yl)isoxazol-3-yl)methyl 4-(N,N-dimethylsulfamoyl)benzoate
CID 8749092
(5-(Thiophen-2-yl)isoxazol-3-yl)methyl 3-(4-methoxyphenyl)propanoate
CID 8849121
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Frequently Asked Questions

What is the IUPAC name of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-morpholin-4-ylsulfonylbenzoate (CID 16870215) is (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-morpholin-4-ylsulfonylbenzoate is O=C(OCc1cc(-c2cccs2)on1)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-morpholin-4-ylsulfonylbenzoate?
The InChIKey is CRSSQFOPWAOZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O6S2/c22-19(26-13-15-12-17(27-20-15)18-2-1-11-28-18)14-3-5-16(6-4-14)29(23,24)21-7-9-25-10-8-21/h1-6,11-12H,7-10,13H2.
What are the key properties of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-morpholin-4-ylsulfonylbenzoate?
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-morpholin-4-ylsulfonylbenzoate has a molecular weight of 434.50 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 16870215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).