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

C15H16FN3O3S — CID 118793135

IUPAC1-[2-(4-fluorophenyl)morpholin-4-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
SMILESCc1nnc(SCC(=O)N2CCOC(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
InChIKeyXMAHYVXLWZRZFB-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.21
Rot. Bonds4

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

1-[2-(4-fluorophenyl)morpholin-4-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (PubChem CID 118793135) has the molecular formula C15H16FN3O3S and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)morpholin-4-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)morpholin-4-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
PubChem CID118793135
Molecular FormulaC15H16FN3O3S
Molecular Weight337.38 g/mol
Exact Mass337.09
IUPAC Name1-[2-(4-fluorophenyl)morpholin-4-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
SMILESCc1nnc(SCC(=O)N2CCOC(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
InChIKeyXMAHYVXLWZRZFB-UHFFFAOYSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)morpholin-4-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The IUPAC name of 1-[2-(4-fluorophenyl)morpholin-4-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (CID 118793135) is 1-[2-(4-fluorophenyl)morpholin-4-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-[2-(4-fluorophenyl)morpholin-4-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for 1-[2-(4-fluorophenyl)morpholin-4-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is Cc1nnc(SCC(=O)N2CCOC(c3ccc(F)cc3)C2)o1.
What is the InChIKey of 1-[2-(4-fluorophenyl)morpholin-4-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The InChIKey is XMAHYVXLWZRZFB-UHFFFAOYSA-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.
What are the key properties of 1-[2-(4-fluorophenyl)morpholin-4-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
1-[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-[2-(4-fluorophenyl)morpholin-4-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 118793135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).