1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone

C15H16FN3O3S — CID 125179535

IUPAC1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
SMILESCc1nnc(SCC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)o1
InChIInChI=1S/C15H16FN3O3S/c1-10-17-18-15(22-10)23-9-14(20)19-6-7-21-13(8-19)11-2-4-12(16)5-3-11/h2-5,13H,6-9H2,1H3/t13-/m1/s1
InChIKeyXMAHYVXLWZRZFB-CYBMUJFWSA-N
MW337.38 g/mol
LogP2.21
Rot. Bonds4

About 1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone

1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (PubChem CID 125179535) has the molecular formula C15H16FN3O3S and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
PubChem CID125179535
Molecular FormulaC15H16FN3O3S
Molecular Weight337.38 g/mol
Exact Mass337.09
IUPAC Name1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
SMILESCc1nnc(SCC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)o1
InChIInChI=1S/C15H16FN3O3S/c1-10-17-18-15(22-10)23-9-14(20)19-6-7-21-13(8-19)11-2-4-12(16)5-3-11/h2-5,13H,6-9H2,1H3/t13-/m1/s1
InChIKeyXMAHYVXLWZRZFB-CYBMUJFWSA-N
XLogP2.21
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The IUPAC name of 1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (CID 125179535) is 1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for 1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is Cc1nnc(SCC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)o1.
What is the InChIKey of 1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The InChIKey is XMAHYVXLWZRZFB-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H16FN3O3S/c1-10-17-18-15(22-10)23-9-14(20)19-6-7-21-13(8-19)11-2-4-12(16)5-3-11/h2-5,13H,6-9H2,1H3/t13-/m1/s1.
What are the key properties of 1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone has a molecular weight of 337.38 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 125179535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).