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

C18H14F3NO — CID 134954192

IUPAC(2S)-2'-phenyl-2-(trifluoromethyl)spiro[1,2-dihydroindene-3,5'-4H-1,3-oxazole]
SMILESFC(F)(F)[C@H]1Cc2ccccc2C12CN=C(c1ccccc1)O2
InChIInChI=1S/C18H14F3NO/c19-18(20,21)15-10-13-8-4-5-9-14(13)17(15)11-22-16(23-17)12-6-2-1-3-7-12/h1-9,15H,10-11H2/t15-,17?/m0/s1
InChIKeyKSNOGVBQTYBOGH-MYJWUSKBSA-N
MW317.31 g/mol
LogP4.09
Rot. Bonds1

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

(2S)-2'-phenyl-2-(trifluoromethyl)spiro[1,2-dihydroindene-3,5'-4H-1,3-oxazole] (PubChem CID 134954192) has the molecular formula C18H14F3NO and a molecular weight of 317.31 g/mol. Its IUPAC name is (2S)-2'-phenyl-2-(trifluoromethyl)spiro[1,2-dihydroindene-3,5'-4H-1,3-oxazole].

Molecular Properties

Compound Name(2S)-2'-phenyl-2-(trifluoromethyl)spiro[1,2-dihydroindene-3,5'-4H-1,3-oxazole]
PubChem CID134954192
Molecular FormulaC18H14F3NO
Molecular Weight317.31 g/mol
Exact Mass317.10
IUPAC Name(2S)-2'-phenyl-2-(trifluoromethyl)spiro[1,2-dihydroindene-3,5'-4H-1,3-oxazole]
SMILESFC(F)(F)[C@H]1Cc2ccccc2C12CN=C(c1ccccc1)O2
InChIInChI=1S/C18H14F3NO/c19-18(20,21)15-10-13-8-4-5-9-14(13)17(15)11-22-16(23-17)12-6-2-1-3-7-12/h1-9,15H,10-11H2/t15-,17?/m0/s1
InChIKeyKSNOGVBQTYBOGH-MYJWUSKBSA-N
XLogP4.09
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S)-2'-phenyl-2-(trifluoromethyl)spiro[1,2-dihydroindene-3,5'-4H-1,3-oxazole] with MolForge

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Related Compounds

(3S,4R)-2'-phenyl-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole]
CID 122364929
2,5-diphenyl-5-(2,2,2-trifluoroethyl)-4H-1,3-oxazole
CID 132602176
(2S)-2-methyl-2'-phenyl-2-(trifluoromethyl)spiro[1H-indene-3,5'-4H-1,3-oxazole]
CID 134954193
(4aS,9bR)-4a-fluoro-2-phenyl-5,9b-dihydro-4H-indeno[2,1-e][1,3]oxazine
CID 154715589
(5R)-5-(2,2-difluoroethyl)-2-(4-methylphenyl)-5-phenyl-4H-1,3-oxazole
CID 166448999
5-benzyl-2-[3,5-bis(trifluoromethyl)phenyl]-5-fluoro-4H-1,3-oxazole
CID 178252049
5-Methyl-2,5-diphenyl-2-oxazoline
CID 13191724
Fluorenyl-oxazoline
CID 152096075
5-cyclohexyl-2-(2-fluorophenyl)-5-phenyl-4H-1,3-oxazole
CID 176133797
2,5-diphenyl-5-propan-2-yl-4H-1,3-oxazole
CID 13554223
(3aS,8bR)-2-(2-fluorophenyl)-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazole
CID 10636535
(3aR,8bS)-2-(2-fluorophenyl)-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazole
CID 10755266

Frequently Asked Questions

What is the IUPAC name of (2S)-2'-phenyl-2-(trifluoromethyl)spiro[1,2-dihydroindene-3,5'-4H-1,3-oxazole]?
The IUPAC name of (2S)-2'-phenyl-2-(trifluoromethyl)spiro[1,2-dihydroindene-3,5'-4H-1,3-oxazole] (CID 134954192) is (2S)-2'-phenyl-2-(trifluoromethyl)spiro[1,2-dihydroindene-3,5'-4H-1,3-oxazole].
What is the SMILES notation for (2S)-2'-phenyl-2-(trifluoromethyl)spiro[1,2-dihydroindene-3,5'-4H-1,3-oxazole]?
The canonical SMILES for (2S)-2'-phenyl-2-(trifluoromethyl)spiro[1,2-dihydroindene-3,5'-4H-1,3-oxazole] is FC(F)(F)[C@H]1Cc2ccccc2C12CN=C(c1ccccc1)O2.
What is the InChIKey of (2S)-2'-phenyl-2-(trifluoromethyl)spiro[1,2-dihydroindene-3,5'-4H-1,3-oxazole]?
The InChIKey is KSNOGVBQTYBOGH-MYJWUSKBSA-N. The full InChI is InChI=1S/C18H14F3NO/c19-18(20,21)15-10-13-8-4-5-9-14(13)17(15)11-22-16(23-17)12-6-2-1-3-7-12/h1-9,15H,10-11H2/t15-,17?/m0/s1.
What are the key properties of (2S)-2'-phenyl-2-(trifluoromethyl)spiro[1,2-dihydroindene-3,5'-4H-1,3-oxazole]?
(2S)-2'-phenyl-2-(trifluoromethyl)spiro[1,2-dihydroindene-3,5'-4H-1,3-oxazole] has a molecular weight of 317.31 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2'-phenyl-2-(trifluoromethyl)spiro[1,2-dihydroindene-3,5'-4H-1,3-oxazole] is sourced from PubChem (CID 134954192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).