3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-5-carboxamide

C14H16F3N5O3 — CID 51853598

IUPAC3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCc1cc(C(F)(F)F)nn1Cc1noc(C(=O)NC[C@@H]2CCCO2)n1
InChIInChI=1S/C14H16F3N5O3/c1-8-5-10(14(15,16)17)20-22(8)7-11-19-13(25-21-11)12(23)18-6-9-3-2-4-24-9/h5,9H,2-4,6-7H2,1H3,(H,18,23)/t9-/m0/s1
InChIKeyFPQXHGYBEFRTCB-VIFPVBQESA-N
MW359.31 g/mol
LogP1.55
Rot. Bonds5

About 3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-5-carboxamide

3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 51853598) has the molecular formula C14H16F3N5O3 and a molecular weight of 359.31 g/mol. Its IUPAC name is 3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID51853598
Molecular FormulaC14H16F3N5O3
Molecular Weight359.31 g/mol
Exact Mass359.12
IUPAC Name3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCc1cc(C(F)(F)F)nn1Cc1noc(C(=O)NC[C@@H]2CCCO2)n1
InChIInChI=1S/C14H16F3N5O3/c1-8-5-10(14(15,16)17)20-22(8)7-11-19-13(25-21-11)12(23)18-6-9-3-2-4-24-9/h5,9H,2-4,6-7H2,1H3,(H,18,23)/t9-/m0/s1
InChIKeyFPQXHGYBEFRTCB-VIFPVBQESA-N
XLogP1.55
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 26414662
N-[[(2S)-oxolan-2-yl]methyl]-3-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 40636596
N-(oxolan-2-ylmethyl)-3-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 6473548
3-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 53130446
3-[2-(4-fluorophenyl)sulfonylethyl]-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 53133881
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
CID 19465995
3-[2-(4-chlorophenyl)sulfonylethyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 95092677
3-[(4-acetamidophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 42650943
2-methyl-N-(oxolan-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 110849530
4-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 42906161
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[(2S)-oxan-2-yl]methyl]benzamide
CID 95595180
3-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 6472669

Frequently Asked Questions

What is the IUPAC name of 3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-5-carboxamide (CID 51853598) is 3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-5-carboxamide is Cc1cc(C(F)(F)F)nn1Cc1noc(C(=O)NC[C@@H]2CCCO2)n1.
What is the InChIKey of 3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is FPQXHGYBEFRTCB-VIFPVBQESA-N. The full InChI is InChI=1S/C14H16F3N5O3/c1-8-5-10(14(15,16)17)20-22(8)7-11-19-13(25-21-11)12(23)18-6-9-3-2-4-24-9/h5,9H,2-4,6-7H2,1H3,(H,18,23)/t9-/m0/s1.
What are the key properties of 3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-5-carboxamide?
3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 359.31 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 51853598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).