3-methyl-5-[4-propan-2-yl-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-1,2-oxazole

C22H26N4O3S — CID 20936505

IUPAC3-methyl-5-[4-propan-2-yl-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-1,2-oxazole
SMILESCc1cc(-c2ccc(C(C)C)c(S(=O)(=O)N3CCN(c4ccccn4)CC3)c2)on1
InChIInChI=1S/C22H26N4O3S/c1-16(2)19-8-7-18(20-14-17(3)24-29-20)15-21(19)30(27,28)26-12-10-25(11-13-26)22-6-4-5-9-23-22/h4-9,14-16H,10-13H2,1-3H3
InChIKeyXPSFDKNRXVAPLK-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.68
Rot. Bonds5

About 3-methyl-5-[4-propan-2-yl-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-1,2-oxazole

3-methyl-5-[4-propan-2-yl-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-1,2-oxazole (PubChem CID 20936505) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is 3-methyl-5-[4-propan-2-yl-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[4-propan-2-yl-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-1,2-oxazole
PubChem CID20936505
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC Name3-methyl-5-[4-propan-2-yl-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-1,2-oxazole
SMILESCc1cc(-c2ccc(C(C)C)c(S(=O)(=O)N3CCN(c4ccccn4)CC3)c2)on1
InChIInChI=1S/C22H26N4O3S/c1-16(2)19-8-7-18(20-14-17(3)24-29-20)15-21(19)30(27,28)26-12-10-25(11-13-26)22-6-4-5-9-23-22/h4-9,14-16H,10-13H2,1-3H3
InChIKeyXPSFDKNRXVAPLK-UHFFFAOYSA-N
XLogP3.68
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-methyl-5-[4-propan-2-yl-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-1,2-oxazole 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-methyl-5-[4-propan-2-yl-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[4-propan-2-yl-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-1,2-oxazole (CID 20936505) is 3-methyl-5-[4-propan-2-yl-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[4-propan-2-yl-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[4-propan-2-yl-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-1,2-oxazole is Cc1cc(-c2ccc(C(C)C)c(S(=O)(=O)N3CCN(c4ccccn4)CC3)c2)on1.
What is the InChIKey of 3-methyl-5-[4-propan-2-yl-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-1,2-oxazole?
The InChIKey is XPSFDKNRXVAPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-16(2)19-8-7-18(20-14-17(3)24-29-20)15-21(19)30(27,28)26-12-10-25(11-13-26)22-6-4-5-9-23-22/h4-9,14-16H,10-13H2,1-3H3.
What are the key properties of 3-methyl-5-[4-propan-2-yl-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-1,2-oxazole?
3-methyl-5-[4-propan-2-yl-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-1,2-oxazole has a molecular weight of 426.54 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[4-propan-2-yl-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-1,2-oxazole is sourced from PubChem (CID 20936505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).