(3-phenyl-1,2-oxazol-5-yl)methyl 3-piperidin-1-ylsulfonylbenzoate

C22H22N2O5S — CID 55476044

IUPAC(3-phenyl-1,2-oxazol-5-yl)methyl 3-piperidin-1-ylsulfonylbenzoate
SMILESO=C(OCc1cc(-c2ccccc2)no1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C22H22N2O5S/c25-22(28-16-19-15-21(23-29-19)17-8-3-1-4-9-17)18-10-7-11-20(14-18)30(26,27)24-12-5-2-6-13-24/h1,3-4,7-11,14-15H,2,5-6,12-13,16H2
InChIKeySTLLJGUNRGHQSD-UHFFFAOYSA-N
MW426.49 g/mol
LogP3.87
Rot. Bonds6

About (3-phenyl-1,2-oxazol-5-yl)methyl 3-piperidin-1-ylsulfonylbenzoate

(3-phenyl-1,2-oxazol-5-yl)methyl 3-piperidin-1-ylsulfonylbenzoate (PubChem CID 55476044) has the molecular formula C22H22N2O5S and a molecular weight of 426.49 g/mol. Its IUPAC name is (3-phenyl-1,2-oxazol-5-yl)methyl 3-piperidin-1-ylsulfonylbenzoate.

Molecular Properties

Compound Name(3-phenyl-1,2-oxazol-5-yl)methyl 3-piperidin-1-ylsulfonylbenzoate
PubChem CID55476044
Molecular FormulaC22H22N2O5S
Molecular Weight426.49 g/mol
Exact Mass426.12
IUPAC Name(3-phenyl-1,2-oxazol-5-yl)methyl 3-piperidin-1-ylsulfonylbenzoate
SMILESO=C(OCc1cc(-c2ccccc2)no1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C22H22N2O5S/c25-22(28-16-19-15-21(23-29-19)17-8-3-1-4-9-17)18-10-7-11-20(14-18)30(26,27)24-12-5-2-6-13-24/h1,3-4,7-11,14-15H,2,5-6,12-13,16H2
InChIKeySTLLJGUNRGHQSD-UHFFFAOYSA-N
XLogP3.87
TPSA89.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-piperidin-1-ylsulfonylbenzoate
CID 16521903
(3,4-dichlorophenyl)methyl 3-(azepan-1-ylsulfonyl)benzoate
CID 4593615
2-phenylethyl 3-piperidin-1-ylsulfonylbenzoate
CID 55334950
(4-bromophenyl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate
CID 2715348
1,3-benzothiazol-2-ylmethyl 3-piperidin-1-ylsulfonylbenzoate
CID 2361437
(2-anilino-2-oxoethyl) 3-(azepan-1-ylsulfonyl)benzoate
CID 2545206
[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl 3-pyrrolidin-1-ylsulfonylbenzoate
CID 46690067
1,3-benzoxazol-2-ylmethyl 3-pyrrolidin-1-ylsulfonylbenzoate
CID 9398340
[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-(azepan-1-ylsulfonyl)benzoate
CID 4782972
phenyl 3-pyrrolidin-1-ylsulfonylbenzoate
CID 3927953
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 56529969
(3-chlorophenyl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate
CID 7699907

Frequently Asked Questions

What is the IUPAC name of (3-phenyl-1,2-oxazol-5-yl)methyl 3-piperidin-1-ylsulfonylbenzoate?
The IUPAC name of (3-phenyl-1,2-oxazol-5-yl)methyl 3-piperidin-1-ylsulfonylbenzoate (CID 55476044) is (3-phenyl-1,2-oxazol-5-yl)methyl 3-piperidin-1-ylsulfonylbenzoate.
What is the SMILES notation for (3-phenyl-1,2-oxazol-5-yl)methyl 3-piperidin-1-ylsulfonylbenzoate?
The canonical SMILES for (3-phenyl-1,2-oxazol-5-yl)methyl 3-piperidin-1-ylsulfonylbenzoate is O=C(OCc1cc(-c2ccccc2)no1)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of (3-phenyl-1,2-oxazol-5-yl)methyl 3-piperidin-1-ylsulfonylbenzoate?
The InChIKey is STLLJGUNRGHQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5S/c25-22(28-16-19-15-21(23-29-19)17-8-3-1-4-9-17)18-10-7-11-20(14-18)30(26,27)24-12-5-2-6-13-24/h1,3-4,7-11,14-15H,2,5-6,12-13,16H2.
What are the key properties of (3-phenyl-1,2-oxazol-5-yl)methyl 3-piperidin-1-ylsulfonylbenzoate?
(3-phenyl-1,2-oxazol-5-yl)methyl 3-piperidin-1-ylsulfonylbenzoate has a molecular weight of 426.49 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-1,2-oxazol-5-yl)methyl 3-piperidin-1-ylsulfonylbenzoate is sourced from PubChem (CID 55476044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).