2-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl]methyl]acetamide

C21H20F3N5O3 — CID 95851402

IUPAC2-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl]methyl]acetamide
SMILESCC1(C)C[C@H](CC(=O)NCc2ccc(-c3ccnc4nc(C(F)(F)F)nn34)cc2)C(=O)O1
InChIInChI=1S/C21H20F3N5O3/c1-20(2)10-14(17(31)32-20)9-16(30)26-11-12-3-5-13(6-4-12)15-7-8-25-19-27-18(21(22,23)24)28-29(15)19/h3-8,14H,9-11H2,1-2H3,(H,26,30)/t14-/m0/s1
InChIKeyLWOKMKLWOOKKKI-AWEZNQCLSA-N
MW447.42 g/mol
LogP3.16
Rot. Bonds5

About 2-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl]methyl]acetamide

2-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl]methyl]acetamide (PubChem CID 95851402) has the molecular formula C21H20F3N5O3 and a molecular weight of 447.42 g/mol. Its IUPAC name is 2-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl]methyl]acetamide
PubChem CID95851402
Molecular FormulaC21H20F3N5O3
Molecular Weight447.42 g/mol
Exact Mass447.15
IUPAC Name2-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl]methyl]acetamide
SMILESCC1(C)C[C@H](CC(=O)NCc2ccc(-c3ccnc4nc(C(F)(F)F)nn34)cc2)C(=O)O1
InChIInChI=1S/C21H20F3N5O3/c1-20(2)10-14(17(31)32-20)9-16(30)26-11-12-3-5-13(6-4-12)15-7-8-25-19-27-18(21(22,23)24)28-29(15)19/h3-8,14H,9-11H2,1-2H3,(H,26,30)/t14-/m0/s1
InChIKeyLWOKMKLWOOKKKI-AWEZNQCLSA-N
XLogP3.16
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl]methyl]acetamide with MolForge

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Related Compounds

2-[[(2R)-oxan-2-yl]methoxy]-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl]methyl]acetamide
CID 92570131
5-oxo-1-propan-2-yl-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl]methyl]pyrrolidine-3-carboxamide
CID 110218944
(3R)-5-oxo-1-propan-2-yl-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl]methyl]pyrrolidine-3-carboxamide
CID 92579258
2-(3-methoxyphenyl)-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl]methyl]acetamide
CID 92599493
[4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methylcarbamic acid
CID 129139581
methyl 7-(4-ethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 103200385
2-methoxy-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclohexyl]methyl]acetamide
CID 98065966
N-(5-chloro-2-pyridinyl)-2-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]acetamide
CID 39730442
4-(methoxymethyl)-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclohexyl]methyl]benzamide
CID 98065995
2-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 889562
1-[7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 2041236
7-pyridin-2-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66491471

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl]methyl]acetamide?
The IUPAC name of 2-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl]methyl]acetamide (CID 95851402) is 2-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl]methyl]acetamide.
What is the SMILES notation for 2-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl]methyl]acetamide?
The canonical SMILES for 2-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl]methyl]acetamide is CC1(C)C[C@H](CC(=O)NCc2ccc(-c3ccnc4nc(C(F)(F)F)nn34)cc2)C(=O)O1.
What is the InChIKey of 2-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl]methyl]acetamide?
The InChIKey is LWOKMKLWOOKKKI-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H20F3N5O3/c1-20(2)10-14(17(31)32-20)9-16(30)26-11-12-3-5-13(6-4-12)15-7-8-25-19-27-18(21(22,23)24)28-29(15)19/h3-8,14H,9-11H2,1-2H3,(H,26,30)/t14-/m0/s1.
What are the key properties of 2-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl]methyl]acetamide?
2-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl]methyl]acetamide has a molecular weight of 447.42 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl]methyl]acetamide is sourced from PubChem (CID 95851402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).