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

C18H18FN3O3S2 — CID 20936271

IUPAC5-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-3-methyl-1,2-oxazole
SMILESCc1cc(-c2ccc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)s2)on1
InChIInChI=1S/C18H18FN3O3S2/c1-13-12-16(25-20-13)17-6-7-18(26-17)27(23,24)22-10-8-21(9-11-22)15-5-3-2-4-14(15)19/h2-7,12H,8-11H2,1H3
InChIKeyJORHPHWMWGFEQH-UHFFFAOYSA-N
MW407.49 g/mol
LogP3.36
Rot. Bonds4

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

5-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-3-methyl-1,2-oxazole (PubChem CID 20936271) has the molecular formula C18H18FN3O3S2 and a molecular weight of 407.49 g/mol. Its IUPAC name is 5-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-3-methyl-1,2-oxazole
PubChem CID20936271
Molecular FormulaC18H18FN3O3S2
Molecular Weight407.49 g/mol
Exact Mass407.08
IUPAC Name5-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-3-methyl-1,2-oxazole
SMILESCc1cc(-c2ccc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)s2)on1
InChIInChI=1S/C18H18FN3O3S2/c1-13-12-16(25-20-13)17-6-7-18(26-17)27(23,24)22-10-8-21(9-11-22)15-5-3-2-4-14(15)19/h2-7,12H,8-11H2,1H3
InChIKeyJORHPHWMWGFEQH-UHFFFAOYSA-N
XLogP3.36
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-3-methyl-1,2-oxazole (CID 20936271) is 5-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-3-methyl-1,2-oxazole is Cc1cc(-c2ccc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)s2)on1.
What is the InChIKey of 5-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-3-methyl-1,2-oxazole?
The InChIKey is JORHPHWMWGFEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3S2/c1-13-12-16(25-20-13)17-6-7-18(26-17)27(23,24)22-10-8-21(9-11-22)15-5-3-2-4-14(15)19/h2-7,12H,8-11H2,1H3.
What are the key properties of 5-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-3-methyl-1,2-oxazole?
5-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-3-methyl-1,2-oxazole has a molecular weight of 407.49 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 20936271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).