2-[(4R)-4-(methylsulfanylmethyl)-5,5-diphenyl-4H-1,3-oxazol-2-yl]phenol

C23H21NO2S — CID 136843956

IUPAC2-[(4R)-4-(methylsulfanylmethyl)-5,5-diphenyl-4H-1,3-oxazol-2-yl]phenol
SMILESCSC[C@@H]1N=C(c2ccccc2O)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21NO2S/c1-27-16-21-23(17-10-4-2-5-11-17,18-12-6-3-7-13-18)26-22(24-21)19-14-8-9-15-20(19)25/h2-15,21,25H,16H2,1H3/t21-/m0/s1
InChIKeyUSUTTWJCFDQZDK-NRFANRHFSA-N
MW375.49 g/mol
LogP4.84
Rot. Bonds5

About 2-[(4R)-4-(methylsulfanylmethyl)-5,5-diphenyl-4H-1,3-oxazol-2-yl]phenol

2-[(4R)-4-(methylsulfanylmethyl)-5,5-diphenyl-4H-1,3-oxazol-2-yl]phenol (PubChem CID 136843956) has the molecular formula C23H21NO2S and a molecular weight of 375.49 g/mol. Its IUPAC name is 2-[(4R)-4-(methylsulfanylmethyl)-5,5-diphenyl-4H-1,3-oxazol-2-yl]phenol.

Molecular Properties

Compound Name2-[(4R)-4-(methylsulfanylmethyl)-5,5-diphenyl-4H-1,3-oxazol-2-yl]phenol
PubChem CID136843956
Molecular FormulaC23H21NO2S
Molecular Weight375.49 g/mol
Exact Mass375.13
IUPAC Name2-[(4R)-4-(methylsulfanylmethyl)-5,5-diphenyl-4H-1,3-oxazol-2-yl]phenol
SMILESCSC[C@@H]1N=C(c2ccccc2O)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21NO2S/c1-27-16-21-23(17-10-4-2-5-11-17,18-12-6-3-7-13-18)26-22(24-21)19-14-8-9-15-20(19)25/h2-15,21,25H,16H2,1H3/t21-/m0/s1
InChIKeyUSUTTWJCFDQZDK-NRFANRHFSA-N
XLogP4.84
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzyl-2-[2-(4-benzyl-5,5-diphenyl-4H-1,3-oxazol-2-yl)propan-2-yl]-5,5-diphenyl-4H-1,3-oxazole
CID 134338244
(4S)-2-(2-bromophenyl)-4-tert-butyl-5,5-diphenyl-4H-1,3-oxazole
CID 102050789
2-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)phenol
CID 136749627
(4S)-2-[2-[(4S)-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazole
CID 11376555
(4S)-2-[3,5-bis[(4S)-5,5-diethyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]phenyl]-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazole
CID 102176871
methanidylbenzene;2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenol;titanium(3+)
CID 168819349
(4S)-4-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,5-diphenyl-4H-1,3-oxazole
CID 138376264
4-bromo-3-methyl-5,5-diphenyl-4H-1,2-oxazole
CID 12637259
1,1'-biphenyl;ethanol;2-phenylphenol
CID 90025475
(4R)-4-benzyl-2-[[(4R)-4-benzyl-5,5-bis(3-methylphenyl)-4H-1,3-oxazol-2-yl]methyl]-5,5-bis(3-methylphenyl)-4H-1,3-oxazole
CID 18345471
(4R)-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazole
CID 174626798
(4S)-2-(3-bromothiophen-2-yl)-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazole
CID 122369541

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-(methylsulfanylmethyl)-5,5-diphenyl-4H-1,3-oxazol-2-yl]phenol?
The IUPAC name of 2-[(4R)-4-(methylsulfanylmethyl)-5,5-diphenyl-4H-1,3-oxazol-2-yl]phenol (CID 136843956) is 2-[(4R)-4-(methylsulfanylmethyl)-5,5-diphenyl-4H-1,3-oxazol-2-yl]phenol.
What is the SMILES notation for 2-[(4R)-4-(methylsulfanylmethyl)-5,5-diphenyl-4H-1,3-oxazol-2-yl]phenol?
The canonical SMILES for 2-[(4R)-4-(methylsulfanylmethyl)-5,5-diphenyl-4H-1,3-oxazol-2-yl]phenol is CSC[C@@H]1N=C(c2ccccc2O)OC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(4R)-4-(methylsulfanylmethyl)-5,5-diphenyl-4H-1,3-oxazol-2-yl]phenol?
The InChIKey is USUTTWJCFDQZDK-NRFANRHFSA-N. The full InChI is InChI=1S/C23H21NO2S/c1-27-16-21-23(17-10-4-2-5-11-17,18-12-6-3-7-13-18)26-22(24-21)19-14-8-9-15-20(19)25/h2-15,21,25H,16H2,1H3/t21-/m0/s1.
What are the key properties of 2-[(4R)-4-(methylsulfanylmethyl)-5,5-diphenyl-4H-1,3-oxazol-2-yl]phenol?
2-[(4R)-4-(methylsulfanylmethyl)-5,5-diphenyl-4H-1,3-oxazol-2-yl]phenol has a molecular weight of 375.49 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-(methylsulfanylmethyl)-5,5-diphenyl-4H-1,3-oxazol-2-yl]phenol is sourced from PubChem (CID 136843956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).