3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide

C13H15F3N4O2S — CID 95906648

IUPAC3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide
SMILESCC[C@@H](NC(=O)CCc1nc(C)no1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C13H15F3N4O2S/c1-3-8(12-19-9(6-23-12)13(14,15)16)18-10(21)4-5-11-17-7(2)20-22-11/h6,8H,3-5H2,1-2H3,(H,18,21)/t8-/m1/s1
InChIKeyJQCDDOABJNKIBR-MRVPVSSYSA-N
MW348.35 g/mol
LogP3.05
Rot. Bonds6

About 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide

3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide (PubChem CID 95906648) has the molecular formula C13H15F3N4O2S and a molecular weight of 348.35 g/mol. Its IUPAC name is 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide.

Molecular Properties

Compound Name3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide
PubChem CID95906648
Molecular FormulaC13H15F3N4O2S
Molecular Weight348.35 g/mol
Exact Mass348.09
IUPAC Name3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide
SMILESCC[C@@H](NC(=O)CCc1nc(C)no1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C13H15F3N4O2S/c1-3-8(12-19-9(6-23-12)13(14,15)16)18-10(21)4-5-11-17-7(2)20-22-11/h6,8H,3-5H2,1-2H3,(H,18,21)/t8-/m1/s1
InChIKeyJQCDDOABJNKIBR-MRVPVSSYSA-N
XLogP3.05
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide?
The IUPAC name of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide (CID 95906648) is 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide.
What is the SMILES notation for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide?
The canonical SMILES for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide is CC[C@@H](NC(=O)CCc1nc(C)no1)c1nc(C(F)(F)F)cs1.
What is the InChIKey of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide?
The InChIKey is JQCDDOABJNKIBR-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H15F3N4O2S/c1-3-8(12-19-9(6-23-12)13(14,15)16)18-10(21)4-5-11-17-7(2)20-22-11/h6,8H,3-5H2,1-2H3,(H,18,21)/t8-/m1/s1.
What are the key properties of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide?
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide has a molecular weight of 348.35 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide is sourced from PubChem (CID 95906648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).