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

C21H22F3N5O3 — CID 92570131

IUPAC2-[[(2R)-oxan-2-yl]methoxy]-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl]methyl]acetamide
SMILESO=C(COC[C@H]1CCCCO1)NCc1ccc(-c2ccnc3nc(C(F)(F)F)nn23)cc1
InChIInChI=1S/C21H22F3N5O3/c22-21(23,24)19-27-20-25-9-8-17(29(20)28-19)15-6-4-14(5-7-15)11-26-18(30)13-31-12-16-3-1-2-10-32-16/h4-9,16H,1-3,10-13H2,(H,26,30)/t16-/m1/s1
InChIKeyFMQFMRDXEPJUKZ-MRXNPFEDSA-N
MW449.43 g/mol
LogP3.01
Rot. Bonds7

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

2-[[(2R)-oxan-2-yl]methoxy]-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl]methyl]acetamide (PubChem CID 92570131) has the molecular formula C21H22F3N5O3 and a molecular weight of 449.43 g/mol. Its IUPAC name is 2-[[(2R)-oxan-2-yl]methoxy]-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[[(2R)-oxan-2-yl]methoxy]-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl]methyl]acetamide
PubChem CID92570131
Molecular FormulaC21H22F3N5O3
Molecular Weight449.43 g/mol
Exact Mass449.17
IUPAC Name2-[[(2R)-oxan-2-yl]methoxy]-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl]methyl]acetamide
SMILESO=C(COC[C@H]1CCCCO1)NCc1ccc(-c2ccnc3nc(C(F)(F)F)nn23)cc1
InChIInChI=1S/C21H22F3N5O3/c22-21(23,24)19-27-20-25-9-8-17(29(20)28-19)15-6-4-14(5-7-15)11-26-18(30)13-31-12-16-3-1-2-10-32-16/h4-9,16H,1-3,10-13H2,(H,26,30)/t16-/m1/s1
InChIKeyFMQFMRDXEPJUKZ-MRXNPFEDSA-N
XLogP3.01
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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-[[(2S)-oxan-2-yl]methoxy]-N-(thiophen-3-ylmethyl)acetamide
CID 124854548
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-(oxolan-2-ylmethoxy)acetamide
CID 86868315
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(oxan-2-ylmethoxy)acetamide
CID 91775341
N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-[[(2R)-oxan-2-yl]methoxy]acetamide
CID 125170928
2-[[(2S)-oxan-2-yl]methoxy]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide
CID 99972011
2-(oxan-2-ylmethoxy)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide
CID 86284175
2-[[(2R)-oxan-2-yl]methoxy]-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide
CID 99980933
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-(oxan-2-ylmethoxy)acetamide
CID 91790876
N-(2-imidazol-1-ylethyl)-2-(oxan-2-ylmethoxy)acetamide
CID 77082155

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-oxan-2-yl]methoxy]-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl]methyl]acetamide?
The IUPAC name of 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) is 2-[[(2R)-oxan-2-yl]methoxy]-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl]methyl]acetamide.
What is the SMILES notation for 2-[[(2R)-oxan-2-yl]methoxy]-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl]methyl]acetamide?
The canonical SMILES for 2-[[(2R)-oxan-2-yl]methoxy]-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl]methyl]acetamide is O=C(COC[C@H]1CCCCO1)NCc1ccc(-c2ccnc3nc(C(F)(F)F)nn23)cc1.
What is the InChIKey of 2-[[(2R)-oxan-2-yl]methoxy]-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl]methyl]acetamide?
The InChIKey is FMQFMRDXEPJUKZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H22F3N5O3/c22-21(23,24)19-27-20-25-9-8-17(29(20)28-19)15-6-4-14(5-7-15)11-26-18(30)13-31-12-16-3-1-2-10-32-16/h4-9,16H,1-3,10-13H2,(H,26,30)/t16-/m1/s1.
What are the key properties of 2-[[(2R)-oxan-2-yl]methoxy]-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl]methyl]acetamide?
2-[[(2R)-oxan-2-yl]methoxy]-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl]methyl]acetamide has a molecular weight of 449.43 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-oxan-2-yl]methoxy]-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl]methyl]acetamide is sourced from PubChem (CID 92570131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).