(4R)-4-(naphthalen-2-ylmethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole

C20H15F3N2O — CID 132568791

IUPAC(4R)-4-(naphthalen-2-ylmethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole
SMILESFC(F)(F)c1ccc(C2=N[C@H](Cc3ccc4ccccc4c3)CO2)nc1
InChIInChI=1S/C20H15F3N2O/c21-20(22,23)16-7-8-18(24-11-16)19-25-17(12-26-19)10-13-5-6-14-3-1-2-4-15(14)9-13/h1-9,11,17H,10,12H2/t17-/m1/s1
InChIKeyNTQRRGCKATVLOU-QGZVFWFLSA-N
MW356.35 g/mol
LogP4.64
Rot. Bonds3

About (4R)-4-(naphthalen-2-ylmethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole

(4R)-4-(naphthalen-2-ylmethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole (PubChem CID 132568791) has the molecular formula C20H15F3N2O and a molecular weight of 356.35 g/mol. Its IUPAC name is (4R)-4-(naphthalen-2-ylmethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R)-4-(naphthalen-2-ylmethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole
PubChem CID132568791
Molecular FormulaC20H15F3N2O
Molecular Weight356.35 g/mol
Exact Mass356.11
IUPAC Name(4R)-4-(naphthalen-2-ylmethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole
SMILESFC(F)(F)c1ccc(C2=N[C@H](Cc3ccc4ccccc4c3)CO2)nc1
InChIInChI=1S/C20H15F3N2O/c21-20(22,23)16-7-8-18(24-11-16)19-25-17(12-26-19)10-13-5-6-14-3-1-2-4-15(14)9-13/h1-9,11,17H,10,12H2/t17-/m1/s1
InChIKeyNTQRRGCKATVLOU-QGZVFWFLSA-N
XLogP4.64
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(2-methyl-1-(naphthalen-2-yl)propan-2-ylamino)-3-(1-(pyridin-2-yl)ethoxy)propan-2-ol
CID 46891322
1-[2-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]-4-(pyridin-2-ylmethyl)piperazine
CID 44358456
US11845730, Example 64
CID 165144173
Pytamine
CID 3052768
3-[[3-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]methyl]pyridine
CID 44211405
2-[[3-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]methyl]pyridine
CID 44211406
Pyridine, 2-(alpha-(2-(dimethylamino)ethoxy)-alpha,3,4-trimethylbenzyl)-, hydrochloride
CID 3057338
1-(5-naphthalen-2-yl-2-pyridin-2-yl-2H-1,3,4-oxadiazol-3-yl)ethanone
CID 57392394
3-(1,4-Dioxaspiro[4.5]decan-3-yl)-5-fluoroisoquinoline
CID 155535679
3-(1,4-Dioxaspiro[4.5]decan-3-yl)-6-methylisoquinoline
CID 155547864
4-Butyl-6-fluoro-3-(methoxymethyl)isoquinoline
CID 71151946
2-((4R)-4,5-Dihydro-4-phenyl-2-oxazolyl)pyridine
CID 11241581

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(naphthalen-2-ylmethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R)-4-(naphthalen-2-ylmethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole (CID 132568791) is (4R)-4-(naphthalen-2-ylmethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R)-4-(naphthalen-2-ylmethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R)-4-(naphthalen-2-ylmethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole is FC(F)(F)c1ccc(C2=N[C@H](Cc3ccc4ccccc4c3)CO2)nc1.
What is the InChIKey of (4R)-4-(naphthalen-2-ylmethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is NTQRRGCKATVLOU-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H15F3N2O/c21-20(22,23)16-7-8-18(24-11-16)19-25-17(12-26-19)10-13-5-6-14-3-1-2-4-15(14)9-13/h1-9,11,17H,10,12H2/t17-/m1/s1.
What are the key properties of (4R)-4-(naphthalen-2-ylmethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
(4R)-4-(naphthalen-2-ylmethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 356.35 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(naphthalen-2-ylmethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 132568791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).