3-ethyl-5-[(2R)-2-(4-ethylphenyl)piperazin-1-yl]sulfonyl-[1,2]oxazolo[5,4-b]pyridine

C20H24N4O3S — CID 124734071

IUPAC3-ethyl-5-[(2R)-2-(4-ethylphenyl)piperazin-1-yl]sulfonyl-[1,2]oxazolo[5,4-b]pyridine
SMILESCCc1ccc([C@@H]2CNCCN2S(=O)(=O)c2cnc3onc(CC)c3c2)cc1
InChIInChI=1S/C20H24N4O3S/c1-3-14-5-7-15(8-6-14)19-13-21-9-10-24(19)28(25,26)16-11-17-18(4-2)23-27-20(17)22-12-16/h5-8,11-12,19,21H,3-4,9-10,13H2,1-2H3/t19-/m0/s1
InChIKeyLVWBKUCBKWPCDE-IBGZPJMESA-N
MW400.50 g/mol
LogP2.68
Rot. Bonds5

About 3-ethyl-5-[(2R)-2-(4-ethylphenyl)piperazin-1-yl]sulfonyl-[1,2]oxazolo[5,4-b]pyridine

3-ethyl-5-[(2R)-2-(4-ethylphenyl)piperazin-1-yl]sulfonyl-[1,2]oxazolo[5,4-b]pyridine (PubChem CID 124734071) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is 3-ethyl-5-[(2R)-2-(4-ethylphenyl)piperazin-1-yl]sulfonyl-[1,2]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-ethyl-5-[(2R)-2-(4-ethylphenyl)piperazin-1-yl]sulfonyl-[1,2]oxazolo[5,4-b]pyridine
PubChem CID124734071
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC Name3-ethyl-5-[(2R)-2-(4-ethylphenyl)piperazin-1-yl]sulfonyl-[1,2]oxazolo[5,4-b]pyridine
SMILESCCc1ccc([C@@H]2CNCCN2S(=O)(=O)c2cnc3onc(CC)c3c2)cc1
InChIInChI=1S/C20H24N4O3S/c1-3-14-5-7-15(8-6-14)19-13-21-9-10-24(19)28(25,26)16-11-17-18(4-2)23-27-20(17)22-12-16/h5-8,11-12,19,21H,3-4,9-10,13H2,1-2H3/t19-/m0/s1
InChIKeyLVWBKUCBKWPCDE-IBGZPJMESA-N
XLogP2.68
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-ethyl-5-[(2R)-2-(4-ethylphenyl)piperazin-1-yl]sulfonyl-[1,2]oxazolo[5,4-b]pyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[(2R)-2-(4-ethylphenyl)piperazin-1-yl]sulfonyl-[1,2]oxazolo[5,4-b]pyridine?
The IUPAC name of 3-ethyl-5-[(2R)-2-(4-ethylphenyl)piperazin-1-yl]sulfonyl-[1,2]oxazolo[5,4-b]pyridine (CID 124734071) is 3-ethyl-5-[(2R)-2-(4-ethylphenyl)piperazin-1-yl]sulfonyl-[1,2]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 3-ethyl-5-[(2R)-2-(4-ethylphenyl)piperazin-1-yl]sulfonyl-[1,2]oxazolo[5,4-b]pyridine?
The canonical SMILES for 3-ethyl-5-[(2R)-2-(4-ethylphenyl)piperazin-1-yl]sulfonyl-[1,2]oxazolo[5,4-b]pyridine is CCc1ccc([C@@H]2CNCCN2S(=O)(=O)c2cnc3onc(CC)c3c2)cc1.
What is the InChIKey of 3-ethyl-5-[(2R)-2-(4-ethylphenyl)piperazin-1-yl]sulfonyl-[1,2]oxazolo[5,4-b]pyridine?
The InChIKey is LVWBKUCBKWPCDE-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-3-14-5-7-15(8-6-14)19-13-21-9-10-24(19)28(25,26)16-11-17-18(4-2)23-27-20(17)22-12-16/h5-8,11-12,19,21H,3-4,9-10,13H2,1-2H3/t19-/m0/s1.
What are the key properties of 3-ethyl-5-[(2R)-2-(4-ethylphenyl)piperazin-1-yl]sulfonyl-[1,2]oxazolo[5,4-b]pyridine?
3-ethyl-5-[(2R)-2-(4-ethylphenyl)piperazin-1-yl]sulfonyl-[1,2]oxazolo[5,4-b]pyridine has a molecular weight of 400.50 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[(2R)-2-(4-ethylphenyl)piperazin-1-yl]sulfonyl-[1,2]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 124734071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).