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

C14H16FN3O2S — CID 120893691

IUPAC3-[(3-fluorophenoxy)methyl]-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
SMILESFc1cccc(OCc2noc(CC3CSCCN3)n2)c1
InChIInChI=1S/C14H16FN3O2S/c15-10-2-1-3-12(6-10)19-8-13-17-14(20-18-13)7-11-9-21-5-4-16-11/h1-3,6,11,16H,4-5,7-9H2
InChIKeyBTPJOWZVPQWKHH-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.04
Rot. Bonds5

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

3-[(3-fluorophenoxy)methyl]-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole (PubChem CID 120893691) has the molecular formula C14H16FN3O2S and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-[(3-fluorophenoxy)methyl]-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(3-fluorophenoxy)methyl]-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
PubChem CID120893691
Molecular FormulaC14H16FN3O2S
Molecular Weight309.37 g/mol
Exact Mass309.09
IUPAC Name3-[(3-fluorophenoxy)methyl]-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
SMILESFc1cccc(OCc2noc(CC3CSCCN3)n2)c1
InChIInChI=1S/C14H16FN3O2S/c15-10-2-1-3-12(6-10)19-8-13-17-14(20-18-13)7-11-9-21-5-4-16-11/h1-3,6,11,16H,4-5,7-9H2
InChIKeyBTPJOWZVPQWKHH-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

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenoxy)methyl]-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(3-fluorophenoxy)methyl]-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole (CID 120893691) is 3-[(3-fluorophenoxy)methyl]-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(3-fluorophenoxy)methyl]-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(3-fluorophenoxy)methyl]-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole is Fc1cccc(OCc2noc(CC3CSCCN3)n2)c1.
What is the InChIKey of 3-[(3-fluorophenoxy)methyl]-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is BTPJOWZVPQWKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2S/c15-10-2-1-3-12(6-10)19-8-13-17-14(20-18-13)7-11-9-21-5-4-16-11/h1-3,6,11,16H,4-5,7-9H2.
What are the key properties of 3-[(3-fluorophenoxy)methyl]-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole?
3-[(3-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-[(3-fluorophenoxy)methyl]-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 120893691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).