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

C20H22N4O4S — CID 20936110

IUPAC5-[4-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-3-methyl-1,2-oxazole
SMILESCOc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H22N4O4S/c1-15-13-18(28-22-15)16-6-7-17(27-2)19(14-16)29(25,26)24-11-9-23(10-12-24)20-5-3-4-8-21-20/h3-8,13-14H,9-12H2,1-2H3
InChIKeyDNZVGXSDOODGHQ-UHFFFAOYSA-N
MW414.49 g/mol
LogP2.56
Rot. Bonds5

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

5-[4-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-3-methyl-1,2-oxazole (PubChem CID 20936110) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is 5-[4-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[4-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-3-methyl-1,2-oxazole
PubChem CID20936110
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC Name5-[4-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-3-methyl-1,2-oxazole
SMILESCOc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H22N4O4S/c1-15-13-18(28-22-15)16-6-7-17(27-2)19(14-16)29(25,26)24-11-9-23(10-12-24)20-5-3-4-8-21-20/h3-8,13-14H,9-12H2,1-2H3
InChIKeyDNZVGXSDOODGHQ-UHFFFAOYSA-N
XLogP2.56
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[4-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-3-methyl-1,2-oxazole (CID 20936110) is 5-[4-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[4-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[4-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-3-methyl-1,2-oxazole is COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 5-[4-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-3-methyl-1,2-oxazole?
The InChIKey is DNZVGXSDOODGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-15-13-18(28-22-15)16-6-7-17(27-2)19(14-16)29(25,26)24-11-9-23(10-12-24)20-5-3-4-8-21-20/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of 5-[4-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-3-methyl-1,2-oxazole?
5-[4-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-3-methyl-1,2-oxazole has a molecular weight of 414.49 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 20936110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).