3-[2-(4-fluorophenyl)sulfonylethyl]-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide

C14H16FN3O4S — CID 53133875

IUPAC3-[2-(4-fluorophenyl)sulfonylethyl]-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide
SMILESCC(C)NC(=O)c1nc(CCS(=O)(=O)c2ccc(F)cc2)no1
InChIInChI=1S/C14H16FN3O4S/c1-9(2)16-13(19)14-17-12(18-22-14)7-8-23(20,21)11-5-3-10(15)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,16,19)
InChIKeyZRDKUSXXDDJSFR-UHFFFAOYSA-N
MW341.36 g/mol
LogP1.36
Rot. Bonds6

About 3-[2-(4-fluorophenyl)sulfonylethyl]-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide

3-[2-(4-fluorophenyl)sulfonylethyl]-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide (PubChem CID 53133875) has the molecular formula C14H16FN3O4S and a molecular weight of 341.36 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)sulfonylethyl]-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)sulfonylethyl]-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide
PubChem CID53133875
Molecular FormulaC14H16FN3O4S
Molecular Weight341.36 g/mol
Exact Mass341.08
IUPAC Name3-[2-(4-fluorophenyl)sulfonylethyl]-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide
SMILESCC(C)NC(=O)c1nc(CCS(=O)(=O)c2ccc(F)cc2)no1
InChIInChI=1S/C14H16FN3O4S/c1-9(2)16-13(19)14-17-12(18-22-14)7-8-23(20,21)11-5-3-10(15)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,16,19)
InChIKeyZRDKUSXXDDJSFR-UHFFFAOYSA-N
XLogP1.36
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)sulfonylethyl]-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[2-(4-fluorophenyl)sulfonylethyl]-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide (CID 53133875) is 3-[2-(4-fluorophenyl)sulfonylethyl]-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[2-(4-fluorophenyl)sulfonylethyl]-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[2-(4-fluorophenyl)sulfonylethyl]-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide is CC(C)NC(=O)c1nc(CCS(=O)(=O)c2ccc(F)cc2)no1.
What is the InChIKey of 3-[2-(4-fluorophenyl)sulfonylethyl]-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is ZRDKUSXXDDJSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O4S/c1-9(2)16-13(19)14-17-12(18-22-14)7-8-23(20,21)11-5-3-10(15)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,16,19).
What are the key properties of 3-[2-(4-fluorophenyl)sulfonylethyl]-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide?
3-[2-(4-fluorophenyl)sulfonylethyl]-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 341.36 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)sulfonylethyl]-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 53133875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).