N-[[3-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-3-ylacetamide

C15H17F2N3O2S — CID 122245470

IUPACN-[[3-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NCc1nc(C2CCC(F)(F)CC2)no1
InChIInChI=1S/C15H17F2N3O2S/c16-15(17)4-1-11(2-5-15)14-19-13(22-20-14)8-18-12(21)7-10-3-6-23-9-10/h3,6,9,11H,1-2,4-5,7-8H2,(H,18,21)
InChIKeyQWIPNLMPOUIXAJ-UHFFFAOYSA-N
MW341.38 g/mol
LogP3.28
Rot. Bonds5

About N-[[3-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-3-ylacetamide

N-[[3-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-3-ylacetamide (PubChem CID 122245470) has the molecular formula C15H17F2N3O2S and a molecular weight of 341.38 g/mol. Its IUPAC name is N-[[3-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[[3-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-3-ylacetamide
PubChem CID122245470
Molecular FormulaC15H17F2N3O2S
Molecular Weight341.38 g/mol
Exact Mass341.10
IUPAC NameN-[[3-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NCc1nc(C2CCC(F)(F)CC2)no1
InChIInChI=1S/C15H17F2N3O2S/c16-15(17)4-1-11(2-5-15)14-19-13(22-20-14)8-18-12(21)7-10-3-6-23-9-10/h3,6,9,11H,1-2,4-5,7-8H2,(H,18,21)
InChIKeyQWIPNLMPOUIXAJ-UHFFFAOYSA-N
XLogP3.28
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[[3-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-3-ylacetamide (CID 122245470) is N-[[3-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[[3-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[[3-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-3-ylacetamide is O=C(Cc1ccsc1)NCc1nc(C2CCC(F)(F)CC2)no1.
What is the InChIKey of N-[[3-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-3-ylacetamide?
The InChIKey is QWIPNLMPOUIXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O2S/c16-15(17)4-1-11(2-5-15)14-19-13(22-20-14)8-18-12(21)7-10-3-6-23-9-10/h3,6,9,11H,1-2,4-5,7-8H2,(H,18,21).
What are the key properties of N-[[3-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-3-ylacetamide?
N-[[3-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-3-ylacetamide has a molecular weight of 341.38 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 122245470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).