N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[2-(trifluoromethyl)-1,3-dithiolan-2-yl]acetamide

C10H12F3N3O2S2 — CID 75390758

IUPACN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[2-(trifluoromethyl)-1,3-dithiolan-2-yl]acetamide
SMILESCc1noc(CNC(=O)CC2(C(F)(F)F)SCCS2)n1
InChIInChI=1S/C10H12F3N3O2S2/c1-6-15-8(18-16-6)5-14-7(17)4-9(10(11,12)13)19-2-3-20-9/h2-5H2,1H3,(H,14,17)
InChIKeyOYUABBVSTCVMMI-UHFFFAOYSA-N
MW327.35 g/mol
LogP2.12
Rot. Bonds4

About N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[2-(trifluoromethyl)-1,3-dithiolan-2-yl]acetamide

N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[2-(trifluoromethyl)-1,3-dithiolan-2-yl]acetamide (PubChem CID 75390758) has the molecular formula C10H12F3N3O2S2 and a molecular weight of 327.35 g/mol. Its IUPAC name is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[2-(trifluoromethyl)-1,3-dithiolan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[2-(trifluoromethyl)-1,3-dithiolan-2-yl]acetamide
PubChem CID75390758
Molecular FormulaC10H12F3N3O2S2
Molecular Weight327.35 g/mol
Exact Mass327.03
IUPAC NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[2-(trifluoromethyl)-1,3-dithiolan-2-yl]acetamide
SMILESCc1noc(CNC(=O)CC2(C(F)(F)F)SCCS2)n1
InChIInChI=1S/C10H12F3N3O2S2/c1-6-15-8(18-16-6)5-14-7(17)4-9(10(11,12)13)19-2-3-20-9/h2-5H2,1H3,(H,14,17)
InChIKeyOYUABBVSTCVMMI-UHFFFAOYSA-N
XLogP2.12
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[2-(trifluoromethyl)-1,3-dithiolan-2-yl]acetamide?
The IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[2-(trifluoromethyl)-1,3-dithiolan-2-yl]acetamide (CID 75390758) is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[2-(trifluoromethyl)-1,3-dithiolan-2-yl]acetamide.
What is the SMILES notation for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[2-(trifluoromethyl)-1,3-dithiolan-2-yl]acetamide?
The canonical SMILES for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[2-(trifluoromethyl)-1,3-dithiolan-2-yl]acetamide is Cc1noc(CNC(=O)CC2(C(F)(F)F)SCCS2)n1.
What is the InChIKey of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[2-(trifluoromethyl)-1,3-dithiolan-2-yl]acetamide?
The InChIKey is OYUABBVSTCVMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2S2/c1-6-15-8(18-16-6)5-14-7(17)4-9(10(11,12)13)19-2-3-20-9/h2-5H2,1H3,(H,14,17).
What are the key properties of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[2-(trifluoromethyl)-1,3-dithiolan-2-yl]acetamide?
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[2-(trifluoromethyl)-1,3-dithiolan-2-yl]acetamide has a molecular weight of 327.35 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[2-(trifluoromethyl)-1,3-dithiolan-2-yl]acetamide is sourced from PubChem (CID 75390758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).