[3-fluoro-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

C17H14F2N4O2S — CID 166604523

IUPAC[3-fluoro-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCC(F)(c3nc(-c4ccc(F)cc4)no3)C2)cs1
InChIInChI=1S/C17H14F2N4O2S/c1-10-20-13(8-26-10)15(24)23-7-6-17(19,9-23)16-21-14(22-25-16)11-2-4-12(18)5-3-11/h2-5,8H,6-7,9H2,1H3
InChIKeyMXQSLNFPIFTACN-UHFFFAOYSA-N
MW376.39 g/mol
LogP3.35
Rot. Bonds3

About [3-fluoro-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

[3-fluoro-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (PubChem CID 166604523) has the molecular formula C17H14F2N4O2S and a molecular weight of 376.39 g/mol. Its IUPAC name is [3-fluoro-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[3-fluoro-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
PubChem CID166604523
Molecular FormulaC17H14F2N4O2S
Molecular Weight376.39 g/mol
Exact Mass376.08
IUPAC Name[3-fluoro-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCC(F)(c3nc(-c4ccc(F)cc4)no3)C2)cs1
InChIInChI=1S/C17H14F2N4O2S/c1-10-20-13(8-26-10)15(24)23-7-6-17(19,9-23)16-21-14(22-25-16)11-2-4-12(18)5-3-11/h2-5,8H,6-7,9H2,1H3
InChIKeyMXQSLNFPIFTACN-UHFFFAOYSA-N
XLogP3.35
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [3-fluoro-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (CID 166604523) is [3-fluoro-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [3-fluoro-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [3-fluoro-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is Cc1nc(C(=O)N2CCC(F)(c3nc(-c4ccc(F)cc4)no3)C2)cs1.
What is the InChIKey of [3-fluoro-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The InChIKey is MXQSLNFPIFTACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O2S/c1-10-20-13(8-26-10)15(24)23-7-6-17(19,9-23)16-21-14(22-25-16)11-2-4-12(18)5-3-11/h2-5,8H,6-7,9H2,1H3.
What are the key properties of [3-fluoro-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
[3-fluoro-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone has a molecular weight of 376.39 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 166604523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).