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

C19H21N3O4S2 — CID 20936269

IUPAC5-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-3-methyl-1,2-oxazole
SMILESCOc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C)no4)s3)CC2)cc1
InChIInChI=1S/C19H21N3O4S2/c1-14-13-17(26-20-14)18-7-8-19(27-18)28(23,24)22-11-9-21(10-12-22)15-3-5-16(25-2)6-4-15/h3-8,13H,9-12H2,1-2H3
InChIKeyFCTGFGNWSTZRAV-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.23
Rot. Bonds5

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

5-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-3-methyl-1,2-oxazole (PubChem CID 20936269) has the molecular formula C19H21N3O4S2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 5-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-3-methyl-1,2-oxazole
PubChem CID20936269
Molecular FormulaC19H21N3O4S2
Molecular Weight419.53 g/mol
Exact Mass419.10
IUPAC Name5-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-3-methyl-1,2-oxazole
SMILESCOc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C)no4)s3)CC2)cc1
InChIInChI=1S/C19H21N3O4S2/c1-14-13-17(26-20-14)18-7-8-19(27-18)28(23,24)22-11-9-21(10-12-22)15-3-5-16(25-2)6-4-15/h3-8,13H,9-12H2,1-2H3
InChIKeyFCTGFGNWSTZRAV-UHFFFAOYSA-N
XLogP3.23
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 5-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-3-methyl-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 5-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-3-methyl-1,2-oxazole (CID 20936269) is 5-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-3-methyl-1,2-oxazole is COc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C)no4)s3)CC2)cc1.
What is the InChIKey of 5-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-3-methyl-1,2-oxazole?
The InChIKey is FCTGFGNWSTZRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S2/c1-14-13-17(26-20-14)18-7-8-19(27-18)28(23,24)22-11-9-21(10-12-22)15-3-5-16(25-2)6-4-15/h3-8,13H,9-12H2,1-2H3.
What are the key properties of 5-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-3-methyl-1,2-oxazole?
5-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-3-methyl-1,2-oxazole has a molecular weight of 419.53 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 20936269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).