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

C19H18N2O5S2 — CID 16870213

IUPAC(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate
SMILESO=C(OCc1cc(-c2cccs2)on1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C19H18N2O5S2/c22-19(25-13-15-12-17(26-20-15)18-4-3-11-27-18)14-5-7-16(8-6-14)28(23,24)21-9-1-2-10-21/h3-8,11-12H,1-2,9-10,13H2
InChIKeyLNIMPYZOBUUNHL-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.54
Rot. Bonds6

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

(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate (PubChem CID 16870213) has the molecular formula C19H18N2O5S2 and a molecular weight of 418.50 g/mol. Its IUPAC name is (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate.

Molecular Properties

Compound Name(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate
PubChem CID16870213
Molecular FormulaC19H18N2O5S2
Molecular Weight418.50 g/mol
Exact Mass418.07
IUPAC Name(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate
SMILESO=C(OCc1cc(-c2cccs2)on1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C19H18N2O5S2/c22-19(25-13-15-12-17(26-20-15)18-4-3-11-27-18)14-5-7-16(8-6-14)28(23,24)21-9-1-2-10-21/h3-8,11-12H,1-2,9-10,13H2
InChIKeyLNIMPYZOBUUNHL-UHFFFAOYSA-N
XLogP3.54
TPSA89.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(5-methyl-1,2-oxazol-3-yl)methyl 4-piperidin-1-ylsulfonylbenzoate
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(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 4-piperidin-1-ylsulfonylbenzoate
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[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl 4-pyrrolidin-1-ylsulfonylbenzoate
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(2-oxo-2-thiophen-2-ylethyl) 4-(azepan-1-ylsulfonyl)benzoate
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(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-bromo-3-nitrobenzoate
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Frequently Asked Questions

What is the IUPAC name of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate?
The IUPAC name of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate (CID 16870213) is (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate.
What is the SMILES notation for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate?
The canonical SMILES for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate is O=C(OCc1cc(-c2cccs2)on1)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate?
The InChIKey is LNIMPYZOBUUNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5S2/c22-19(25-13-15-12-17(26-20-15)18-4-3-11-27-18)14-5-7-16(8-6-14)28(23,24)21-9-1-2-10-21/h3-8,11-12H,1-2,9-10,13H2.
What are the key properties of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate?
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate has a molecular weight of 418.50 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate is sourced from PubChem (CID 16870213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).