3-[(2-fluorophenoxy)methyl]-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole

C14H16FN3O2S — CID 120893534

IUPAC3-[(2-fluorophenoxy)methyl]-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
SMILESFc1ccccc1OCc1noc(CC2CSCCN2)n1
InChIInChI=1S/C14H16FN3O2S/c15-11-3-1-2-4-12(11)19-8-13-17-14(20-18-13)7-10-9-21-6-5-16-10/h1-4,10,16H,5-9H2
InChIKeyFWZXRSVSPGDBEW-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.04
Rot. Bonds5

About 3-[(2-fluorophenoxy)methyl]-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole

3-[(2-fluorophenoxy)methyl]-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole (PubChem CID 120893534) has the molecular formula C14H16FN3O2S and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-[(2-fluorophenoxy)methyl]-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2-fluorophenoxy)methyl]-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
PubChem CID120893534
Molecular FormulaC14H16FN3O2S
Molecular Weight309.37 g/mol
Exact Mass309.09
IUPAC Name3-[(2-fluorophenoxy)methyl]-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
SMILESFc1ccccc1OCc1noc(CC2CSCCN2)n1
InChIInChI=1S/C14H16FN3O2S/c15-11-3-1-2-4-12(11)19-8-13-17-14(20-18-13)7-10-9-21-6-5-16-10/h1-4,10,16H,5-9H2
InChIKeyFWZXRSVSPGDBEW-UHFFFAOYSA-N
XLogP2.04
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(2-fluorophenoxy)methyl]-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole 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 3-[(2-fluorophenoxy)methyl]-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(2-fluorophenoxy)methyl]-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole (CID 120893534) is 3-[(2-fluorophenoxy)methyl]-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2-fluorophenoxy)methyl]-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2-fluorophenoxy)methyl]-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole is Fc1ccccc1OCc1noc(CC2CSCCN2)n1.
What is the InChIKey of 3-[(2-fluorophenoxy)methyl]-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is FWZXRSVSPGDBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2S/c15-11-3-1-2-4-12(11)19-8-13-17-14(20-18-13)7-10-9-21-6-5-16-10/h1-4,10,16H,5-9H2.
What are the key properties of 3-[(2-fluorophenoxy)methyl]-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole?
3-[(2-fluorophenoxy)methyl]-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 309.37 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenoxy)methyl]-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 120893534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).