2-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylfuran-3-yl]-5-propan-2-yl-1,3,4-oxadiazole

C19H21FN4O4S — CID 53175822

IUPAC2-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylfuran-3-yl]-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(-c2coc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)c2)o1
InChIInChI=1S/C19H21FN4O4S/c1-13(2)18-21-22-19(28-18)14-11-17(27-12-14)29(25,26)24-9-7-23(8-10-24)16-6-4-3-5-15(16)20/h3-6,11-13H,7-10H2,1-2H3
InChIKeyGFMWNQVQBXHJBL-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.10
Rot. Bonds5

About 2-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylfuran-3-yl]-5-propan-2-yl-1,3,4-oxadiazole

2-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylfuran-3-yl]-5-propan-2-yl-1,3,4-oxadiazole (PubChem CID 53175822) has the molecular formula C19H21FN4O4S and a molecular weight of 420.47 g/mol. Its IUPAC name is 2-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylfuran-3-yl]-5-propan-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylfuran-3-yl]-5-propan-2-yl-1,3,4-oxadiazole
PubChem CID53175822
Molecular FormulaC19H21FN4O4S
Molecular Weight420.47 g/mol
Exact Mass420.13
IUPAC Name2-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylfuran-3-yl]-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(-c2coc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)c2)o1
InChIInChI=1S/C19H21FN4O4S/c1-13(2)18-21-22-19(28-18)14-11-17(27-12-14)29(25,26)24-9-7-23(8-10-24)16-6-4-3-5-15(16)20/h3-6,11-13H,7-10H2,1-2H3
InChIKeyGFMWNQVQBXHJBL-UHFFFAOYSA-N
XLogP3.10
TPSA92.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylfuran-3-yl]-5-methyl-1,3,4-oxadiazole
CID 53175750
2-[(1S)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 40939270
2-methyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole
CID 53175761
2-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylfuran-3-yl]-5-methyl-1,3,4-oxadiazole
CID 53175752
2-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)furan-3-yl]-5-methyl-1,3,4-oxadiazole
CID 53175745
2-propan-2-yl-5-(5-pyrrolidin-1-ylsulfonylfuran-2-yl)-1,3,4-oxadiazole
CID 53175552
1-(2-fluorophenyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine
CID 113076622
2-(4-chlorophenyl)-5-[(R)-[4-(2-fluorophenyl)piperazin-1-yl]-phenylmethyl]-1,3,4-oxadiazole
CID 92724535
5-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-2-methyl-1,3-oxazole
CID 20958962
2-ethyl-5-[5-(4-methylpiperidin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole
CID 53175781
6-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylchromen-2-one
CID 2987419
4-[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)furan-2-yl]sulfonylmorpholine
CID 53175868

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylfuran-3-yl]-5-propan-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylfuran-3-yl]-5-propan-2-yl-1,3,4-oxadiazole (CID 53175822) is 2-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylfuran-3-yl]-5-propan-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylfuran-3-yl]-5-propan-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylfuran-3-yl]-5-propan-2-yl-1,3,4-oxadiazole is CC(C)c1nnc(-c2coc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)c2)o1.
What is the InChIKey of 2-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylfuran-3-yl]-5-propan-2-yl-1,3,4-oxadiazole?
The InChIKey is GFMWNQVQBXHJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O4S/c1-13(2)18-21-22-19(28-18)14-11-17(27-12-14)29(25,26)24-9-7-23(8-10-24)16-6-4-3-5-15(16)20/h3-6,11-13H,7-10H2,1-2H3.
What are the key properties of 2-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylfuran-3-yl]-5-propan-2-yl-1,3,4-oxadiazole?
2-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylfuran-3-yl]-5-propan-2-yl-1,3,4-oxadiazole has a molecular weight of 420.47 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylfuran-3-yl]-5-propan-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 53175822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).