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

C15H17F3N4O3 — CID 72907766

IUPACN-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCCc1nnc(CN(CC)C(=O)Cn2cccc(C(F)(F)F)c2=O)o1
InChIInChI=1S/C15H17F3N4O3/c1-3-11-19-20-12(25-11)8-21(4-2)13(23)9-22-7-5-6-10(14(22)24)15(16,17)18/h5-7H,3-4,8-9H2,1-2H3
InChIKeyFVWPTDLLYJAWOM-UHFFFAOYSA-N
MW358.32 g/mol
LogP1.86
Rot. Bonds6

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

N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 72907766) has the molecular formula C15H17F3N4O3 and a molecular weight of 358.32 g/mol. Its IUPAC name is N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID72907766
Molecular FormulaC15H17F3N4O3
Molecular Weight358.32 g/mol
Exact Mass358.13
IUPAC NameN-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCCc1nnc(CN(CC)C(=O)Cn2cccc(C(F)(F)F)c2=O)o1
InChIInChI=1S/C15H17F3N4O3/c1-3-11-19-20-12(25-11)8-21(4-2)13(23)9-22-7-5-6-10(14(22)24)15(16,17)18/h5-7H,3-4,8-9H2,1-2H3
InChIKeyFVWPTDLLYJAWOM-UHFFFAOYSA-N
XLogP1.86
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (CID 72907766) is N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is CCc1nnc(CN(CC)C(=O)Cn2cccc(C(F)(F)F)c2=O)o1.
What is the InChIKey of N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is FVWPTDLLYJAWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O3/c1-3-11-19-20-12(25-11)8-21(4-2)13(23)9-22-7-5-6-10(14(22)24)15(16,17)18/h5-7H,3-4,8-9H2,1-2H3.
What are the key properties of N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 358.32 g/mol, XLogP of 1.86, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 72907766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).