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

C14H15F3N4O3 — CID 72931977

IUPACN-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCCN(Cc1noc(C)n1)C(=O)Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C14H15F3N4O3/c1-3-20(7-11-18-9(2)24-19-11)12(22)8-21-6-4-5-10(13(21)23)14(15,16)17/h4-6H,3,7-8H2,1-2H3
InChIKeyHKVTXZRABOZGJJ-UHFFFAOYSA-N
MW344.29 g/mol
LogP1.61
Rot. Bonds5

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

N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 72931977) has the molecular formula C14H15F3N4O3 and a molecular weight of 344.29 g/mol. Its IUPAC name is N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID72931977
Molecular FormulaC14H15F3N4O3
Molecular Weight344.29 g/mol
Exact Mass344.11
IUPAC NameN-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCCN(Cc1noc(C)n1)C(=O)Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C14H15F3N4O3/c1-3-20(7-11-18-9(2)24-19-11)12(22)8-21-6-4-5-10(13(21)23)14(15,16)17/h4-6H,3,7-8H2,1-2H3
InChIKeyHKVTXZRABOZGJJ-UHFFFAOYSA-N
XLogP1.61
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 51.61
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-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (CID 72931977) is N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is CCN(Cc1noc(C)n1)C(=O)Cn1cccc(C(F)(F)F)c1=O.
What is the InChIKey of N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is HKVTXZRABOZGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O3/c1-3-20(7-11-18-9(2)24-19-11)12(22)8-21-6-4-5-10(13(21)23)14(15,16)17/h4-6H,3,7-8H2,1-2H3.
What are the key properties of N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 344.29 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 72931977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).