5-[(1S)-1-[(R)-(5-fluoro-2-methoxyphenyl)methylsulfinyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole

C15H19FN2O3S — CID 95330475

IUPAC5-[(1S)-1-[(R)-(5-fluoro-2-methoxyphenyl)methylsulfinyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCOc1ccc(F)cc1C[S@@](=O)[C@@H](C)c1nc(C(C)C)no1
InChIInChI=1S/C15H19FN2O3S/c1-9(2)14-17-15(21-18-14)10(3)22(19)8-11-7-12(16)5-6-13(11)20-4/h5-7,9-10H,8H2,1-4H3/t10-,22+/m0/s1
InChIKeyJGHSHJYNSOJQLH-MLMJSJRWSA-N
MW326.39 g/mol
LogP3.35
Rot. Bonds6

About 5-[(1S)-1-[(R)-(5-fluoro-2-methoxyphenyl)methylsulfinyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole

5-[(1S)-1-[(R)-(5-fluoro-2-methoxyphenyl)methylsulfinyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 95330475) has the molecular formula C15H19FN2O3S and a molecular weight of 326.39 g/mol. Its IUPAC name is 5-[(1S)-1-[(R)-(5-fluoro-2-methoxyphenyl)methylsulfinyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1S)-1-[(R)-(5-fluoro-2-methoxyphenyl)methylsulfinyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID95330475
Molecular FormulaC15H19FN2O3S
Molecular Weight326.39 g/mol
Exact Mass326.11
IUPAC Name5-[(1S)-1-[(R)-(5-fluoro-2-methoxyphenyl)methylsulfinyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCOc1ccc(F)cc1C[S@@](=O)[C@@H](C)c1nc(C(C)C)no1
InChIInChI=1S/C15H19FN2O3S/c1-9(2)14-17-15(21-18-14)10(3)22(19)8-11-7-12(16)5-6-13(11)20-4/h5-7,9-10H,8H2,1-4H3/t10-,22+/m0/s1
InChIKeyJGHSHJYNSOJQLH-MLMJSJRWSA-N
XLogP3.35
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-[(R)-(5-fluoro-2-methoxyphenyl)methylsulfinyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(1S)-1-[(R)-(5-fluoro-2-methoxyphenyl)methylsulfinyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole (CID 95330475) is 5-[(1S)-1-[(R)-(5-fluoro-2-methoxyphenyl)methylsulfinyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1S)-1-[(R)-(5-fluoro-2-methoxyphenyl)methylsulfinyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1S)-1-[(R)-(5-fluoro-2-methoxyphenyl)methylsulfinyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole is COc1ccc(F)cc1C[S@@](=O)[C@@H](C)c1nc(C(C)C)no1.
What is the InChIKey of 5-[(1S)-1-[(R)-(5-fluoro-2-methoxyphenyl)methylsulfinyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is JGHSHJYNSOJQLH-MLMJSJRWSA-N. The full InChI is InChI=1S/C15H19FN2O3S/c1-9(2)14-17-15(21-18-14)10(3)22(19)8-11-7-12(16)5-6-13(11)20-4/h5-7,9-10H,8H2,1-4H3/t10-,22+/m0/s1.
What are the key properties of 5-[(1S)-1-[(R)-(5-fluoro-2-methoxyphenyl)methylsulfinyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[(1S)-1-[(R)-(5-fluoro-2-methoxyphenyl)methylsulfinyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 326.39 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-[(R)-(5-fluoro-2-methoxyphenyl)methylsulfinyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 95330475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).