4-(2-fluorophenyl)sulfonyl-3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one

C18H16FN5O4S — CID 146069923

IUPAC4-(2-fluorophenyl)sulfonyl-3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one
SMILESO=C1NCCN(S(=O)(=O)c2ccccc2F)C1Cc1nc(-c2ccncc2)no1
InChIInChI=1S/C18H16FN5O4S/c19-13-3-1-2-4-15(13)29(26,27)24-10-9-21-18(25)14(24)11-16-22-17(23-28-16)12-5-7-20-8-6-12/h1-8,14H,9-11H2,(H,21,25)
InChIKeyWJWCWRMWSPYWQY-UHFFFAOYSA-N
MW417.42 g/mol
LogP1.00
Rot. Bonds5

About 4-(2-fluorophenyl)sulfonyl-3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one

4-(2-fluorophenyl)sulfonyl-3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one (PubChem CID 146069923) has the molecular formula C18H16FN5O4S and a molecular weight of 417.42 g/mol. Its IUPAC name is 4-(2-fluorophenyl)sulfonyl-3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-(2-fluorophenyl)sulfonyl-3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one
PubChem CID146069923
Molecular FormulaC18H16FN5O4S
Molecular Weight417.42 g/mol
Exact Mass417.09
IUPAC Name4-(2-fluorophenyl)sulfonyl-3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one
SMILESO=C1NCCN(S(=O)(=O)c2ccccc2F)C1Cc1nc(-c2ccncc2)no1
InChIInChI=1S/C18H16FN5O4S/c19-13-3-1-2-4-15(13)29(26,27)24-10-9-21-18(25)14(24)11-16-22-17(23-28-16)12-5-7-20-8-6-12/h1-8,14H,9-11H2,(H,21,25)
InChIKeyWJWCWRMWSPYWQY-UHFFFAOYSA-N
XLogP1.00
TPSA118.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)sulfonyl-3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one?
The IUPAC name of 4-(2-fluorophenyl)sulfonyl-3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one (CID 146069923) is 4-(2-fluorophenyl)sulfonyl-3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one.
What is the SMILES notation for 4-(2-fluorophenyl)sulfonyl-3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one?
The canonical SMILES for 4-(2-fluorophenyl)sulfonyl-3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one is O=C1NCCN(S(=O)(=O)c2ccccc2F)C1Cc1nc(-c2ccncc2)no1.
What is the InChIKey of 4-(2-fluorophenyl)sulfonyl-3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one?
The InChIKey is WJWCWRMWSPYWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O4S/c19-13-3-1-2-4-15(13)29(26,27)24-10-9-21-18(25)14(24)11-16-22-17(23-28-16)12-5-7-20-8-6-12/h1-8,14H,9-11H2,(H,21,25).
What are the key properties of 4-(2-fluorophenyl)sulfonyl-3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one?
4-(2-fluorophenyl)sulfonyl-3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one has a molecular weight of 417.42 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)sulfonyl-3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one is sourced from PubChem (CID 146069923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).