3-methyl-5-[5-(4-propylpiperazin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole

C15H21N3O3S2 — CID 20936239

IUPAC3-methyl-5-[5-(4-propylpiperazin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole
SMILESCCCN1CCN(S(=O)(=O)c2ccc(-c3cc(C)no3)s2)CC1
InChIInChI=1S/C15H21N3O3S2/c1-3-6-17-7-9-18(10-8-17)23(19,20)15-5-4-14(22-15)13-11-12(2)16-21-13/h4-5,11H,3,6-10H2,1-2H3
InChIKeyVJQVVJPREDBBMO-UHFFFAOYSA-N
MW355.49 g/mol
LogP2.43
Rot. Bonds5

About 3-methyl-5-[5-(4-propylpiperazin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole

3-methyl-5-[5-(4-propylpiperazin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole (PubChem CID 20936239) has the molecular formula C15H21N3O3S2 and a molecular weight of 355.49 g/mol. Its IUPAC name is 3-methyl-5-[5-(4-propylpiperazin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[5-(4-propylpiperazin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole
PubChem CID20936239
Molecular FormulaC15H21N3O3S2
Molecular Weight355.49 g/mol
Exact Mass355.10
IUPAC Name3-methyl-5-[5-(4-propylpiperazin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole
SMILESCCCN1CCN(S(=O)(=O)c2ccc(-c3cc(C)no3)s2)CC1
InChIInChI=1S/C15H21N3O3S2/c1-3-6-17-7-9-18(10-8-17)23(19,20)15-5-4-14(22-15)13-11-12(2)16-21-13/h4-5,11H,3,6-10H2,1-2H3
InChIKeyVJQVVJPREDBBMO-UHFFFAOYSA-N
XLogP2.43
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[5-(4-propylpiperazin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[5-(4-propylpiperazin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole (CID 20936239) is 3-methyl-5-[5-(4-propylpiperazin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[5-(4-propylpiperazin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[5-(4-propylpiperazin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole is CCCN1CCN(S(=O)(=O)c2ccc(-c3cc(C)no3)s2)CC1.
What is the InChIKey of 3-methyl-5-[5-(4-propylpiperazin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole?
The InChIKey is VJQVVJPREDBBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S2/c1-3-6-17-7-9-18(10-8-17)23(19,20)15-5-4-14(22-15)13-11-12(2)16-21-13/h4-5,11H,3,6-10H2,1-2H3.
What are the key properties of 3-methyl-5-[5-(4-propylpiperazin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole?
3-methyl-5-[5-(4-propylpiperazin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole has a molecular weight of 355.49 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[5-(4-propylpiperazin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole is sourced from PubChem (CID 20936239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).