(3S,4R)-2'-phenyl-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole]

C19H16F3NO — CID 122364929

IUPAC(3S,4R)-2'-phenyl-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole]
SMILESFC(F)(F)[C@H]1CCc2ccccc2[C@@]12CN=C(c1ccccc1)O2
InChIInChI=1S/C19H16F3NO/c20-19(21,22)16-11-10-13-6-4-5-9-15(13)18(16)12-23-17(24-18)14-7-2-1-3-8-14/h1-9,16H,10-12H2/t16-,18-/m0/s1
InChIKeyJEEHUVZCKHOTEN-WMZOPIPTSA-N
MW331.34 g/mol
LogP4.48
Rot. Bonds1

About (3S,4R)-2'-phenyl-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole]

(3S,4R)-2'-phenyl-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole] (PubChem CID 122364929) has the molecular formula C19H16F3NO and a molecular weight of 331.34 g/mol. Its IUPAC name is (3S,4R)-2'-phenyl-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole].

Molecular Properties

Compound Name(3S,4R)-2'-phenyl-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole]
PubChem CID122364929
Molecular FormulaC19H16F3NO
Molecular Weight331.34 g/mol
Exact Mass331.12
IUPAC Name(3S,4R)-2'-phenyl-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole]
SMILESFC(F)(F)[C@H]1CCc2ccccc2[C@@]12CN=C(c1ccccc1)O2
InChIInChI=1S/C19H16F3NO/c20-19(21,22)16-11-10-13-6-4-5-9-15(13)18(16)12-23-17(24-18)14-7-2-1-3-8-14/h1-9,16H,10-12H2/t16-,18-/m0/s1
InChIKeyJEEHUVZCKHOTEN-WMZOPIPTSA-N
XLogP4.48
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4R)-3-fluoro-2'-(4-iodophenyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole]
CID 89665132
(3S,4R)-3-fluoro-2'-naphthalen-2-ylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole]
CID 89665170
(3S,4R)-2'-(4-bromophenyl)-3-fluorospiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole]
CID 89665172
2,5-diphenyl-5-(2,2,2-trifluoroethyl)-4H-1,3-oxazole
CID 132602176
2,6-Diphenyl-6-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazine
CID 132602178
(3S,4R)-2'-methyl-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole]
CID 134954189
(3S,4R)-2'-ethoxy-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole]
CID 134954190
(3S,4R)-2'-(trichloromethyl)-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole]
CID 134954191
(2S)-2'-phenyl-2-(trifluoromethyl)spiro[1,2-dihydroindene-3,5'-4H-1,3-oxazole]
CID 134954192
(3S,4R)-2'-phenyl-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,6'-4,5-dihydro-1,3-oxazine]
CID 134954194
(4aS,10bS)-4a-fluoro-10b-methyl-2-phenyl-5,6-dihydro-4H-benzo[h][1,3]benzoxazine
CID 135065057
(4aS,10bR)-4a-fluoro-2-phenyl-4,5,6,10b-tetrahydrobenzo[h][1,3]benzoxazine
CID 154714290

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-2'-phenyl-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole]?
The IUPAC name of (3S,4R)-2'-phenyl-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole] (CID 122364929) is (3S,4R)-2'-phenyl-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole].
What is the SMILES notation for (3S,4R)-2'-phenyl-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole]?
The canonical SMILES for (3S,4R)-2'-phenyl-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole] is FC(F)(F)[C@H]1CCc2ccccc2[C@@]12CN=C(c1ccccc1)O2.
What is the InChIKey of (3S,4R)-2'-phenyl-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole]?
The InChIKey is JEEHUVZCKHOTEN-WMZOPIPTSA-N. The full InChI is InChI=1S/C19H16F3NO/c20-19(21,22)16-11-10-13-6-4-5-9-15(13)18(16)12-23-17(24-18)14-7-2-1-3-8-14/h1-9,16H,10-12H2/t16-,18-/m0/s1.
What are the key properties of (3S,4R)-2'-phenyl-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole]?
(3S,4R)-2'-phenyl-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole] has a molecular weight of 331.34 g/mol, XLogP of 4.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-2'-phenyl-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole] is sourced from PubChem (CID 122364929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).