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

C23H24N2O5S — CID 16528609

IUPAC(5-phenyl-1,3-oxazol-2-yl)methyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate
SMILESCc1ccc(C(=O)OCc2ncc(-c3ccccc3)o2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C23H24N2O5S/c1-17-10-11-19(14-21(17)31(27,28)25-12-6-3-7-13-25)23(26)29-16-22-24-15-20(30-22)18-8-4-2-5-9-18/h2,4-5,8-11,14-15H,3,6-7,12-13,16H2,1H3
InChIKeyJNYHUZNJSVOKNK-UHFFFAOYSA-N
MW440.52 g/mol
LogP4.18
Rot. Bonds6

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

(5-phenyl-1,3-oxazol-2-yl)methyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate (PubChem CID 16528609) has the molecular formula C23H24N2O5S and a molecular weight of 440.52 g/mol. Its IUPAC name is (5-phenyl-1,3-oxazol-2-yl)methyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate.

Molecular Properties

Compound Name(5-phenyl-1,3-oxazol-2-yl)methyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate
PubChem CID16528609
Molecular FormulaC23H24N2O5S
Molecular Weight440.52 g/mol
Exact Mass440.14
IUPAC Name(5-phenyl-1,3-oxazol-2-yl)methyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate
SMILESCc1ccc(C(=O)OCc2ncc(-c3ccccc3)o2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C23H24N2O5S/c1-17-10-11-19(14-21(17)31(27,28)25-12-6-3-7-13-25)23(26)29-16-22-24-15-20(30-22)18-8-4-2-5-9-18/h2,4-5,8-11,14-15H,3,6-7,12-13,16H2,1H3
InChIKeyJNYHUZNJSVOKNK-UHFFFAOYSA-N
XLogP4.18
TPSA89.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-phenyl-1,3-oxazol-2-yl)methyl 4-piperidin-1-ylsulfonylbenzoate
CID 4559248
[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 43023466
1,3-benzothiazol-2-ylmethyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 2568292
phenyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 2668435
(5-phenyl-1,3-oxazol-2-yl)methyl 3-hydroxybenzoate
CID 7790163
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 8762046
[5-(dimethylsulfamoyl)furan-2-yl]methyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 55730756
[2-(N-ethylanilino)-2-oxoethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 2568523
4-methyl-N-phenylmethoxy-3-piperidin-1-ylsulfonylbenzamide
CID 9227291
(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 55500404
(5-phenyl-1,3-oxazol-2-yl)methyl 3,5-dichloro-4-methoxybenzoate
CID 9125999
(2-oxo-2-propan-2-yloxyethyl) 4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 46638412

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate?
The IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate (CID 16528609) is (5-phenyl-1,3-oxazol-2-yl)methyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate.
What is the SMILES notation for (5-phenyl-1,3-oxazol-2-yl)methyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate?
The canonical SMILES for (5-phenyl-1,3-oxazol-2-yl)methyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate is Cc1ccc(C(=O)OCc2ncc(-c3ccccc3)o2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of (5-phenyl-1,3-oxazol-2-yl)methyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate?
The InChIKey is JNYHUZNJSVOKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S/c1-17-10-11-19(14-21(17)31(27,28)25-12-6-3-7-13-25)23(26)29-16-22-24-15-20(30-22)18-8-4-2-5-9-18/h2,4-5,8-11,14-15H,3,6-7,12-13,16H2,1H3.
What are the key properties of (5-phenyl-1,3-oxazol-2-yl)methyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate?
(5-phenyl-1,3-oxazol-2-yl)methyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate has a molecular weight of 440.52 g/mol, XLogP of 4.18, 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-methyl-3-piperidin-1-ylsulfonylbenzoate is sourced from PubChem (CID 16528609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).