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

C19H16F3NO — CID 134954193

IUPAC(2S)-2-methyl-2'-phenyl-2-(trifluoromethyl)spiro[1H-indene-3,5'-4H-1,3-oxazole]
SMILESC[C@]1(C(F)(F)F)Cc2ccccc2C12CN=C(c1ccccc1)O2
InChIInChI=1S/C19H16F3NO/c1-17(19(20,21)22)11-14-9-5-6-10-15(14)18(17)12-23-16(24-18)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3/t17-,18?/m0/s1
InChIKeyQRCVKPJNOKAUQT-ZENAZSQFSA-N
MW331.34 g/mol
LogP4.48
Rot. Bonds1

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

(2S)-2-methyl-2'-phenyl-2-(trifluoromethyl)spiro[1H-indene-3,5'-4H-1,3-oxazole] (PubChem CID 134954193) has the molecular formula C19H16F3NO and a molecular weight of 331.34 g/mol. Its IUPAC name is (2S)-2-methyl-2'-phenyl-2-(trifluoromethyl)spiro[1H-indene-3,5'-4H-1,3-oxazole].

Molecular Properties

Compound Name(2S)-2-methyl-2'-phenyl-2-(trifluoromethyl)spiro[1H-indene-3,5'-4H-1,3-oxazole]
PubChem CID134954193
Molecular FormulaC19H16F3NO
Molecular Weight331.34 g/mol
Exact Mass331.12
IUPAC Name(2S)-2-methyl-2'-phenyl-2-(trifluoromethyl)spiro[1H-indene-3,5'-4H-1,3-oxazole]
SMILESC[C@]1(C(F)(F)F)Cc2ccccc2C12CN=C(c1ccccc1)O2
InChIInChI=1S/C19H16F3NO/c1-17(19(20,21)22)11-14-9-5-6-10-15(14)18(17)12-23-16(24-18)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3/t17-,18?/m0/s1
InChIKeyQRCVKPJNOKAUQT-ZENAZSQFSA-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

2,5-diphenyl-5-(2,2,2-trifluoroethyl)-4H-1,3-oxazole
CID 132602176
(2S)-2'-phenyl-2-(trifluoromethyl)spiro[1,2-dihydroindene-3,5'-4H-1,3-oxazole]
CID 134954192
(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
2'-(2,6-Difluorophenyl)spiro[1,3-dihydroindene-2,5'-4,6-dihydro-1,3-oxazine]
CID 53719617
2-(4-tert-butylphenyl)-5-(fluoromethyl)-5-[(E)-2-phenylethenyl]-4H-1,3-oxazole
CID 117717429
(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
2-(4-fluorophenyl)-5-phenyl-5-(2,2,2-trifluoroethyl)-4H-1,3-oxazole
CID 101881794
3-phenyl-3-(trifluoromethyl)-N-(2,4,4-trimethylpentan-2-yl)-2-benzofuran-1-imine
CID 102079282
2-methyl-2'-phenyl-2-(trifluoromethyl)spiro[1H-indene-3,5'-4H-1,3-oxazole]
CID 122390037
(2S,3R)-2'-phenyl-2-(trifluoromethyl)spiro[1,2-dihydroindene-3,5'-4H-1,3-oxazole]
CID 132518061

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-2'-phenyl-2-(trifluoromethyl)spiro[1H-indene-3,5'-4H-1,3-oxazole]?
The IUPAC name of (2S)-2-methyl-2'-phenyl-2-(trifluoromethyl)spiro[1H-indene-3,5'-4H-1,3-oxazole] (CID 134954193) is (2S)-2-methyl-2'-phenyl-2-(trifluoromethyl)spiro[1H-indene-3,5'-4H-1,3-oxazole].
What is the SMILES notation for (2S)-2-methyl-2'-phenyl-2-(trifluoromethyl)spiro[1H-indene-3,5'-4H-1,3-oxazole]?
The canonical SMILES for (2S)-2-methyl-2'-phenyl-2-(trifluoromethyl)spiro[1H-indene-3,5'-4H-1,3-oxazole] is C[C@]1(C(F)(F)F)Cc2ccccc2C12CN=C(c1ccccc1)O2.
What is the InChIKey of (2S)-2-methyl-2'-phenyl-2-(trifluoromethyl)spiro[1H-indene-3,5'-4H-1,3-oxazole]?
The InChIKey is QRCVKPJNOKAUQT-ZENAZSQFSA-N. The full InChI is InChI=1S/C19H16F3NO/c1-17(19(20,21)22)11-14-9-5-6-10-15(14)18(17)12-23-16(24-18)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3/t17-,18?/m0/s1.
What are the key properties of (2S)-2-methyl-2'-phenyl-2-(trifluoromethyl)spiro[1H-indene-3,5'-4H-1,3-oxazole]?
(2S)-2-methyl-2'-phenyl-2-(trifluoromethyl)spiro[1H-indene-3,5'-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 (2S)-2-methyl-2'-phenyl-2-(trifluoromethyl)spiro[1H-indene-3,5'-4H-1,3-oxazole] is sourced from PubChem (CID 134954193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).