(5-phenyl-1,3-oxazol-2-yl)methyl 4-piperidin-1-ylsulfonylbenzoate

C22H22N2O5S — CID 4559248

IUPAC(5-phenyl-1,3-oxazol-2-yl)methyl 4-piperidin-1-ylsulfonylbenzoate
SMILESO=C(OCc1ncc(-c2ccccc2)o1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C22H22N2O5S/c25-22(28-16-21-23-15-20(29-21)17-7-3-1-4-8-17)18-9-11-19(12-10-18)30(26,27)24-13-5-2-6-14-24/h1,3-4,7-12,15H,2,5-6,13-14,16H2
InChIKeyZGUCCSNPJUBWQH-UHFFFAOYSA-N
MW426.49 g/mol
LogP3.87
Rot. Bonds6

About (5-phenyl-1,3-oxazol-2-yl)methyl 4-piperidin-1-ylsulfonylbenzoate

(5-phenyl-1,3-oxazol-2-yl)methyl 4-piperidin-1-ylsulfonylbenzoate (PubChem CID 4559248) has the molecular formula C22H22N2O5S and a molecular weight of 426.49 g/mol. Its IUPAC name is (5-phenyl-1,3-oxazol-2-yl)methyl 4-piperidin-1-ylsulfonylbenzoate.

Molecular Properties

Compound Name(5-phenyl-1,3-oxazol-2-yl)methyl 4-piperidin-1-ylsulfonylbenzoate
PubChem CID4559248
Molecular FormulaC22H22N2O5S
Molecular Weight426.49 g/mol
Exact Mass426.12
IUPAC Name(5-phenyl-1,3-oxazol-2-yl)methyl 4-piperidin-1-ylsulfonylbenzoate
SMILESO=C(OCc1ncc(-c2ccccc2)o1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C22H22N2O5S/c25-22(28-16-21-23-15-20(29-21)17-7-3-1-4-8-17)18-9-11-19(12-10-18)30(26,27)24-13-5-2-6-14-24/h1,3-4,7-12,15H,2,5-6,13-14,16H2
InChIKeyZGUCCSNPJUBWQH-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

(5-phenyl-1,3-oxazol-2-yl)methyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 16528609
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate
CID 16588856
(5-phenyl-1,3-oxazol-2-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 16530508
[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl 4-(phenylsulfamoyl)benzoate
CID 16595735
(2-chlorophenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate
CID 2557893
5-phenyl-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole
CID 19258655
(2-methylphenyl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate
CID 7767619
[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-pyrrolidin-1-ylsulfonylbenzoate
CID 2553654
(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 4-piperidin-1-ylsulfonylbenzoate
CID 2651732
naphthalen-1-ylmethyl 4-(azepan-1-ylsulfonyl)benzoate
CID 4044191
furan-2-ylmethyl 4-pyrrolidin-1-ylsulfonylbenzoate
CID 2683146
(4,6-diamino-1,3,5-triazin-2-yl)methyl 4-(azepan-1-ylsulfonyl)benzoate
CID 55390076

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl 4-piperidin-1-ylsulfonylbenzoate?
The IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl 4-piperidin-1-ylsulfonylbenzoate (CID 4559248) is (5-phenyl-1,3-oxazol-2-yl)methyl 4-piperidin-1-ylsulfonylbenzoate.
What is the SMILES notation for (5-phenyl-1,3-oxazol-2-yl)methyl 4-piperidin-1-ylsulfonylbenzoate?
The canonical SMILES for (5-phenyl-1,3-oxazol-2-yl)methyl 4-piperidin-1-ylsulfonylbenzoate is O=C(OCc1ncc(-c2ccccc2)o1)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of (5-phenyl-1,3-oxazol-2-yl)methyl 4-piperidin-1-ylsulfonylbenzoate?
The InChIKey is ZGUCCSNPJUBWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5S/c25-22(28-16-21-23-15-20(29-21)17-7-3-1-4-8-17)18-9-11-19(12-10-18)30(26,27)24-13-5-2-6-14-24/h1,3-4,7-12,15H,2,5-6,13-14,16H2.
What are the key properties of (5-phenyl-1,3-oxazol-2-yl)methyl 4-piperidin-1-ylsulfonylbenzoate?
(5-phenyl-1,3-oxazol-2-yl)methyl 4-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 (5-phenyl-1,3-oxazol-2-yl)methyl 4-piperidin-1-ylsulfonylbenzoate is sourced from PubChem (CID 4559248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).