5-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-2-methoxyphenyl]-3-propyl-1,2,4-oxadiazole

C22H25FN4O4S — CID 50747574

IUPAC5-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-2-methoxyphenyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(-c2cc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)ccc2OC)n1
InChIInChI=1S/C22H25FN4O4S/c1-3-6-21-24-22(31-25-21)17-15-16(9-10-20(17)30-2)32(28,29)27-13-11-26(12-14-27)19-8-5-4-7-18(19)23/h4-5,7-10,15H,3,6,11-14H2,1-2H3
InChIKeyBUTORYVMPQYEJX-UHFFFAOYSA-N
MW460.53 g/mol
LogP3.35
Rot. Bonds7

About 5-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-2-methoxyphenyl]-3-propyl-1,2,4-oxadiazole

5-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-2-methoxyphenyl]-3-propyl-1,2,4-oxadiazole (PubChem CID 50747574) has the molecular formula C22H25FN4O4S and a molecular weight of 460.53 g/mol. Its IUPAC name is 5-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-2-methoxyphenyl]-3-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-2-methoxyphenyl]-3-propyl-1,2,4-oxadiazole
PubChem CID50747574
Molecular FormulaC22H25FN4O4S
Molecular Weight460.53 g/mol
Exact Mass460.16
IUPAC Name5-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-2-methoxyphenyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(-c2cc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)ccc2OC)n1
InChIInChI=1S/C22H25FN4O4S/c1-3-6-21-24-22(31-25-21)17-15-16(9-10-20(17)30-2)32(28,29)27-13-11-26(12-14-27)19-8-5-4-7-18(19)23/h4-5,7-10,15H,3,6,11-14H2,1-2H3
InChIKeyBUTORYVMPQYEJX-UHFFFAOYSA-N
XLogP3.35
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-2-methoxyphenyl]-3-propyl-1,2,4-oxadiazole with MolForge

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Related Compounds

4-methoxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 50747503
N-benzyl-4-methoxy-N-methyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 50747540
1-(6-ethoxynaphthalen-2-yl)sulfonyl-4-(2-fluorophenyl)piperazine
CID 1041679
5-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-ethyl-1,2,4-oxadiazole
CID 50747609
N-(3,5-dimethylphenyl)-4-methoxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 50747563
4-methoxy-N-(3-methylphenyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 50747612
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1201987
1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(2-ethylphenyl)piperazine
CID 113075861
1-[3-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-methoxyphenyl]sulfonyl-4-ethylpiperazine
CID 46088911
2-methoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzoic acid
CID 2324705
6-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylchromen-2-one
CID 2987419
1-ethyl-4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine
CID 39730317

Frequently Asked Questions

What is the IUPAC name of 5-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-2-methoxyphenyl]-3-propyl-1,2,4-oxadiazole?
The IUPAC name of 5-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-2-methoxyphenyl]-3-propyl-1,2,4-oxadiazole (CID 50747574) is 5-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-2-methoxyphenyl]-3-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-2-methoxyphenyl]-3-propyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-2-methoxyphenyl]-3-propyl-1,2,4-oxadiazole is CCCc1noc(-c2cc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)ccc2OC)n1.
What is the InChIKey of 5-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-2-methoxyphenyl]-3-propyl-1,2,4-oxadiazole?
The InChIKey is BUTORYVMPQYEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O4S/c1-3-6-21-24-22(31-25-21)17-15-16(9-10-20(17)30-2)32(28,29)27-13-11-26(12-14-27)19-8-5-4-7-18(19)23/h4-5,7-10,15H,3,6,11-14H2,1-2H3.
What are the key properties of 5-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-2-methoxyphenyl]-3-propyl-1,2,4-oxadiazole?
5-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-2-methoxyphenyl]-3-propyl-1,2,4-oxadiazole has a molecular weight of 460.53 g/mol, XLogP of 3.35, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-2-methoxyphenyl]-3-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 50747574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).