5-[(1S)-1-[(R)-(2-fluorophenyl)methylsulfinyl]ethyl]-3-methyl-1,2,4-oxadiazole

C12H13FN2O2S — CID 95617084

IUPAC5-[(1S)-1-[(R)-(2-fluorophenyl)methylsulfinyl]ethyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc([C@H](C)[S@](=O)Cc2ccccc2F)n1
InChIInChI=1S/C12H13FN2O2S/c1-8(12-14-9(2)15-17-12)18(16)7-10-5-3-4-6-11(10)13/h3-6,8H,7H2,1-2H3/t8-,18+/m0/s1
InChIKeyJEXAUKDGCOFHPU-DCXZOGHSSA-N
MW268.31 g/mol
LogP2.53
Rot. Bonds4

About 5-[(1S)-1-[(R)-(2-fluorophenyl)methylsulfinyl]ethyl]-3-methyl-1,2,4-oxadiazole

5-[(1S)-1-[(R)-(2-fluorophenyl)methylsulfinyl]ethyl]-3-methyl-1,2,4-oxadiazole (PubChem CID 95617084) has the molecular formula C12H13FN2O2S and a molecular weight of 268.31 g/mol. Its IUPAC name is 5-[(1S)-1-[(R)-(2-fluorophenyl)methylsulfinyl]ethyl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1S)-1-[(R)-(2-fluorophenyl)methylsulfinyl]ethyl]-3-methyl-1,2,4-oxadiazole
PubChem CID95617084
Molecular FormulaC12H13FN2O2S
Molecular Weight268.31 g/mol
Exact Mass268.07
IUPAC Name5-[(1S)-1-[(R)-(2-fluorophenyl)methylsulfinyl]ethyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc([C@H](C)[S@](=O)Cc2ccccc2F)n1
InChIInChI=1S/C12H13FN2O2S/c1-8(12-14-9(2)15-17-12)18(16)7-10-5-3-4-6-11(10)13/h3-6,8H,7H2,1-2H3/t8-,18+/m0/s1
InChIKeyJEXAUKDGCOFHPU-DCXZOGHSSA-N
XLogP2.53
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-[(2-chloro-6-fluorophenyl)methylsulfinyl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 56783995
3-methyl-5-[(1S)-1-[(S)-(3-methylphenyl)methylsulfinyl]ethyl]-1,2,4-oxadiazole
CID 95617070
3-methyl-5-[1-[[3-(trifluoromethyl)phenyl]methylsulfinyl]ethyl]-1,2,4-oxadiazole
CID 56783992
5-[[(S)-(2-fluorophenyl)methylsulfinyl]methyl]-3-methyl-1,2-oxazole
CID 95332582
N-[(2-fluorophenyl)methyl]-2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]acetamide
CID 50971959
3-[[(S)-(2-fluorophenyl)methylsulfinyl]methyl]-5-methyl-1,2-oxazole
CID 95593610
2-[(2-fluorophenyl)methylsulfinyl]-N-phenylpropanamide
CID 123099889
N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 95621942
(2S)-2-[(S)-(2-fluorophenyl)methylsulfinyl]-N-methyl-N-phenylpropanamide
CID 95599423
(2S)-N-benzyl-2-[(R)-(2-fluorophenyl)methylsulfinyl]propanamide
CID 95599409
(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethanol
CID 63851603
2-[[(R)-[(1R)-1-(2-fluorophenyl)ethyl]sulfinyl]methyl]-1,3,5-trimethylbenzene
CID 97311315

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-[(R)-(2-fluorophenyl)methylsulfinyl]ethyl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(1S)-1-[(R)-(2-fluorophenyl)methylsulfinyl]ethyl]-3-methyl-1,2,4-oxadiazole (CID 95617084) is 5-[(1S)-1-[(R)-(2-fluorophenyl)methylsulfinyl]ethyl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1S)-1-[(R)-(2-fluorophenyl)methylsulfinyl]ethyl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1S)-1-[(R)-(2-fluorophenyl)methylsulfinyl]ethyl]-3-methyl-1,2,4-oxadiazole is Cc1noc([C@H](C)[S@](=O)Cc2ccccc2F)n1.
What is the InChIKey of 5-[(1S)-1-[(R)-(2-fluorophenyl)methylsulfinyl]ethyl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is JEXAUKDGCOFHPU-DCXZOGHSSA-N. The full InChI is InChI=1S/C12H13FN2O2S/c1-8(12-14-9(2)15-17-12)18(16)7-10-5-3-4-6-11(10)13/h3-6,8H,7H2,1-2H3/t8-,18+/m0/s1.
What are the key properties of 5-[(1S)-1-[(R)-(2-fluorophenyl)methylsulfinyl]ethyl]-3-methyl-1,2,4-oxadiazole?
5-[(1S)-1-[(R)-(2-fluorophenyl)methylsulfinyl]ethyl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 268.31 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-[(R)-(2-fluorophenyl)methylsulfinyl]ethyl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 95617084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).