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

C14H15F3N4O3 — CID 167769201

IUPACN-[2-[5-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1noc(Cn2cccc(C(F)(F)F)c2=O)n1
InChIInChI=1S/C14H15F3N4O3/c1-8(22)19-13(2,3)12-18-10(24-20-12)7-21-6-4-5-9(11(21)23)14(15,16)17/h4-6H,7H2,1-3H3,(H,19,22)
InChIKeyPNJWQWWFMYZFLK-UHFFFAOYSA-N
MW344.29 g/mol
LogP1.67
Rot. Bonds4

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

N-[2-[5-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide (PubChem CID 167769201) has the molecular formula C14H15F3N4O3 and a molecular weight of 344.29 g/mol. Its IUPAC name is N-[2-[5-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-[5-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
PubChem CID167769201
Molecular FormulaC14H15F3N4O3
Molecular Weight344.29 g/mol
Exact Mass344.11
IUPAC NameN-[2-[5-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1noc(Cn2cccc(C(F)(F)F)c2=O)n1
InChIInChI=1S/C14H15F3N4O3/c1-8(22)19-13(2,3)12-18-10(24-20-12)7-21-6-4-5-9(11(21)23)14(15,16)17/h4-6H,7H2,1-3H3,(H,19,22)
InChIKeyPNJWQWWFMYZFLK-UHFFFAOYSA-N
XLogP1.67
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The IUPAC name of N-[2-[5-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide (CID 167769201) is N-[2-[5-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide.
What is the SMILES notation for N-[2-[5-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The canonical SMILES for N-[2-[5-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide is CC(=O)NC(C)(C)c1noc(Cn2cccc(C(F)(F)F)c2=O)n1.
What is the InChIKey of N-[2-[5-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The InChIKey is PNJWQWWFMYZFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O3/c1-8(22)19-13(2,3)12-18-10(24-20-12)7-21-6-4-5-9(11(21)23)14(15,16)17/h4-6H,7H2,1-3H3,(H,19,22).
What are the key properties of N-[2-[5-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
N-[2-[5-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide has a molecular weight of 344.29 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide is sourced from PubChem (CID 167769201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).