[(3R)-3-hydroxypyrrolidin-1-yl]-[2-[[6-(trifluoromethoxy)-3-pyridinyl]oxymethyl]-1,3-oxazol-4-yl]methanone

C15H14F3N3O5 — CID 176989676

IUPAC[(3R)-3-hydroxypyrrolidin-1-yl]-[2-[[6-(trifluoromethoxy)-3-pyridinyl]oxymethyl]-1,3-oxazol-4-yl]methanone
SMILESO=C(c1coc(COc2ccc(OC(F)(F)F)nc2)n1)N1CC[C@@H](O)C1
InChIInChI=1S/C15H14F3N3O5/c16-15(17,18)26-12-2-1-10(5-19-12)24-8-13-20-11(7-25-13)14(23)21-4-3-9(22)6-21/h1-2,5,7,9,22H,3-4,6,8H2/t9-/m1/s1
InChIKeyBUYNZMRGMGBXRT-SECBINFHSA-N
MW373.29 g/mol
LogP1.75
Rot. Bonds5

About [(3R)-3-hydroxypyrrolidin-1-yl]-[2-[[6-(trifluoromethoxy)-3-pyridinyl]oxymethyl]-1,3-oxazol-4-yl]methanone

[(3R)-3-hydroxypyrrolidin-1-yl]-[2-[[6-(trifluoromethoxy)-3-pyridinyl]oxymethyl]-1,3-oxazol-4-yl]methanone (PubChem CID 176989676) has the molecular formula C15H14F3N3O5 and a molecular weight of 373.29 g/mol. Its IUPAC name is [(3R)-3-hydroxypyrrolidin-1-yl]-[2-[[6-(trifluoromethoxy)-3-pyridinyl]oxymethyl]-1,3-oxazol-4-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-hydroxypyrrolidin-1-yl]-[2-[[6-(trifluoromethoxy)-3-pyridinyl]oxymethyl]-1,3-oxazol-4-yl]methanone
PubChem CID176989676
Molecular FormulaC15H14F3N3O5
Molecular Weight373.29 g/mol
Exact Mass373.09
IUPAC Name[(3R)-3-hydroxypyrrolidin-1-yl]-[2-[[6-(trifluoromethoxy)-3-pyridinyl]oxymethyl]-1,3-oxazol-4-yl]methanone
SMILESO=C(c1coc(COc2ccc(OC(F)(F)F)nc2)n1)N1CC[C@@H](O)C1
InChIInChI=1S/C15H14F3N3O5/c16-15(17,18)26-12-2-1-10(5-19-12)24-8-13-20-11(7-25-13)14(23)21-4-3-9(22)6-21/h1-2,5,7,9,22H,3-4,6,8H2/t9-/m1/s1
InChIKeyBUYNZMRGMGBXRT-SECBINFHSA-N
XLogP1.75
TPSA97.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.29
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-[2-[[6-(trifluoromethoxy)-3-pyridinyl]oxymethyl]-1,3-oxazol-4-yl]methanone
CID 176989419
3-azabicyclo[4.1.0]heptan-3-yl-[2-[[6-(trifluoromethoxy)-3-pyridinyl]oxymethyl]-1,3-oxazol-4-yl]methanone
CID 176989644
[2-[[6-(difluoromethoxy)-3-pyridinyl]oxymethyl]-1,3-oxazol-4-yl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 176989658
[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-[2-[[6-(trifluoromethoxy)-3-pyridinyl]oxymethyl]-1,3-oxazol-4-yl]methanone
CID 176989714
methanimine;[3-[[(Z)-prop-1-enyl]amino]pyrrolidin-1-yl]-[2-[[6-(trifluoromethoxy)-3-pyridinyl]oxymethyl]-1,3-oxazol-4-yl]methanone
CID 176989472
(3-fluoropyrrolidin-1-yl)-[2-[[4-(trifluoromethoxy)-2-pyridinyl]oxymethyl]-1,3-oxazol-4-yl]methanone
CID 176989638
[2-[(4-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 25446692
[(3S,4S)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-[2-[(4-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone
CID 56713621
[2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 45229409
(3-methoxypiperidin-1-yl)-[2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazol-4-yl]methanone
CID 45200891
[2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3S)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone
CID 95214399
[(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazol-4-yl]methanone
CID 56722009

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-hydroxypyrrolidin-1-yl]-[2-[[6-(trifluoromethoxy)-3-pyridinyl]oxymethyl]-1,3-oxazol-4-yl]methanone?
The IUPAC name of [(3R)-3-hydroxypyrrolidin-1-yl]-[2-[[6-(trifluoromethoxy)-3-pyridinyl]oxymethyl]-1,3-oxazol-4-yl]methanone (CID 176989676) is [(3R)-3-hydroxypyrrolidin-1-yl]-[2-[[6-(trifluoromethoxy)-3-pyridinyl]oxymethyl]-1,3-oxazol-4-yl]methanone.
What is the SMILES notation for [(3R)-3-hydroxypyrrolidin-1-yl]-[2-[[6-(trifluoromethoxy)-3-pyridinyl]oxymethyl]-1,3-oxazol-4-yl]methanone?
The canonical SMILES for [(3R)-3-hydroxypyrrolidin-1-yl]-[2-[[6-(trifluoromethoxy)-3-pyridinyl]oxymethyl]-1,3-oxazol-4-yl]methanone is O=C(c1coc(COc2ccc(OC(F)(F)F)nc2)n1)N1CC[C@@H](O)C1.
What is the InChIKey of [(3R)-3-hydroxypyrrolidin-1-yl]-[2-[[6-(trifluoromethoxy)-3-pyridinyl]oxymethyl]-1,3-oxazol-4-yl]methanone?
The InChIKey is BUYNZMRGMGBXRT-SECBINFHSA-N. The full InChI is InChI=1S/C15H14F3N3O5/c16-15(17,18)26-12-2-1-10(5-19-12)24-8-13-20-11(7-25-13)14(23)21-4-3-9(22)6-21/h1-2,5,7,9,22H,3-4,6,8H2/t9-/m1/s1.
What are the key properties of [(3R)-3-hydroxypyrrolidin-1-yl]-[2-[[6-(trifluoromethoxy)-3-pyridinyl]oxymethyl]-1,3-oxazol-4-yl]methanone?
[(3R)-3-hydroxypyrrolidin-1-yl]-[2-[[6-(trifluoromethoxy)-3-pyridinyl]oxymethyl]-1,3-oxazol-4-yl]methanone has a molecular weight of 373.29 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-hydroxypyrrolidin-1-yl]-[2-[[6-(trifluoromethoxy)-3-pyridinyl]oxymethyl]-1,3-oxazol-4-yl]methanone is sourced from PubChem (CID 176989676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).