[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-bis(2-methylphenyl)methanol

C22H27NO2 — CID 11484515

IUPAC[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-bis(2-methylphenyl)methanol
SMILESCc1ccccc1C(O)(C1=N[C@@H](C(C)(C)C)CO1)c1ccccc1C
InChIInChI=1S/C22H27NO2/c1-15-10-6-8-12-17(15)22(24,18-13-9-7-11-16(18)2)20-23-19(14-25-20)21(3,4)5/h6-13,19,24H,14H2,1-5H3/t19-/m1/s1
InChIKeyOPSQPPWXENVXSA-LJQANCHMSA-N
MW337.46 g/mol
LogP4.38
Rot. Bonds3

About [(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-bis(2-methylphenyl)methanol

[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-bis(2-methylphenyl)methanol (PubChem CID 11484515) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is [(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-bis(2-methylphenyl)methanol.

Molecular Properties

Compound Name[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-bis(2-methylphenyl)methanol
PubChem CID11484515
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-bis(2-methylphenyl)methanol
SMILESCc1ccccc1C(O)(C1=N[C@@H](C(C)(C)C)CO1)c1ccccc1C
InChIInChI=1S/C22H27NO2/c1-15-10-6-8-12-17(15)22(24,18-13-9-7-11-16(18)2)20-23-19(14-25-20)21(3,4)5/h6-13,19,24H,14H2,1-5H3/t19-/m1/s1
InChIKeyOPSQPPWXENVXSA-LJQANCHMSA-N
XLogP4.38
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-tert-butyl-2-(2-phenoxypropan-2-yl)-4,5-dihydro-1,3-oxazole
CID 58626939
4-tert-butyl-2-[2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-1,3-diphenylpropan-2-yl]-4,5-dihydro-1,3-oxazole
CID 154730338
(4S)-4-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)-4,5-dihydro-1,3-oxazole
CID 11629966
CID 134992078
CID 134992078
[5-[hydroxy-bis(2-methylphenyl)methyl]-1,3-dioxol-4-yl]-bis(2-methylphenyl)methanol
CID 140981334
(4S)-4-tert-butyl-2-(1-chloro-2-methylpropan-2-yl)-4,5-dihydro-1,3-oxazole
CID 11680136
2-[(4S)-2-tert-butyl-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol
CID 59101168
(4S)-4-tert-butyl-2-[4-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2,6-dimethylheptan-4-yl]-4,5-dihydro-1,3-oxazole
CID 15212537
(4S)-4-tert-butyl-2-(2-methanidyloxypropan-2-yl)-4,5-dihydro-1,3-oxazole;carbanide;iridium(3+)
CID 59664161
(4R)-4-tert-butyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole
CID 101039596
(4S)-4-tert-butyl-2-(2-phenylphenyl)-4,5-dihydro-1,3-oxazole
CID 71232307
2-(2-bromophenyl)-4-tert-butyl-4,5-dihydro-1,3-oxazole
CID 53421125

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-bis(2-methylphenyl)methanol?
The IUPAC name of [(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-bis(2-methylphenyl)methanol (CID 11484515) is [(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-bis(2-methylphenyl)methanol.
What is the SMILES notation for [(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-bis(2-methylphenyl)methanol?
The canonical SMILES for [(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-bis(2-methylphenyl)methanol is Cc1ccccc1C(O)(C1=N[C@@H](C(C)(C)C)CO1)c1ccccc1C.
What is the InChIKey of [(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-bis(2-methylphenyl)methanol?
The InChIKey is OPSQPPWXENVXSA-LJQANCHMSA-N. The full InChI is InChI=1S/C22H27NO2/c1-15-10-6-8-12-17(15)22(24,18-13-9-7-11-16(18)2)20-23-19(14-25-20)21(3,4)5/h6-13,19,24H,14H2,1-5H3/t19-/m1/s1.
What are the key properties of [(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-bis(2-methylphenyl)methanol?
[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-bis(2-methylphenyl)methanol has a molecular weight of 337.46 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-bis(2-methylphenyl)methanol is sourced from PubChem (CID 11484515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).