[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylmethanol

C26H27NO2 — CID 10643825

IUPAC[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylmethanol
SMILESCC(C)(C)[C@H]1COC(c2ccccc2C(O)(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C26H27NO2/c1-25(2,3)23-18-29-24(27-23)21-16-10-11-17-22(21)26(28,19-12-6-4-7-13-19)20-14-8-5-9-15-20/h4-17,23,28H,18H2,1-3H3/t23-/m1/s1
InChIKeyIUSPQLHCSDGYIF-HSZRJFAPSA-N
MW385.51 g/mol
LogP5.16
Rot. Bonds4

About [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylmethanol

[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylmethanol (PubChem CID 10643825) has the molecular formula C26H27NO2 and a molecular weight of 385.51 g/mol. Its IUPAC name is [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylmethanol.

Molecular Properties

Compound Name[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylmethanol
PubChem CID10643825
Molecular FormulaC26H27NO2
Molecular Weight385.51 g/mol
Exact Mass385.20
IUPAC Name[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylmethanol
SMILESCC(C)(C)[C@H]1COC(c2ccccc2C(O)(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C26H27NO2/c1-25(2,3)23-18-29-24(27-23)21-16-10-11-17-22(21)26(28,19-12-6-4-7-13-19)20-14-8-5-9-15-20/h4-17,23,28H,18H2,1-3H3/t23-/m1/s1
InChIKeyIUSPQLHCSDGYIF-HSZRJFAPSA-N
XLogP5.16
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylmethanol?
The IUPAC name of [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylmethanol (CID 10643825) is [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylmethanol.
What is the SMILES notation for [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylmethanol?
The canonical SMILES for [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylmethanol is CC(C)(C)[C@H]1COC(c2ccccc2C(O)(c2ccccc2)c2ccccc2)=N1.
What is the InChIKey of [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylmethanol?
The InChIKey is IUSPQLHCSDGYIF-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H27NO2/c1-25(2,3)23-18-29-24(27-23)21-16-10-11-17-22(21)26(28,19-12-6-4-7-13-19)20-14-8-5-9-15-20/h4-17,23,28H,18H2,1-3H3/t23-/m1/s1.
What are the key properties of [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylmethanol?
[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylmethanol has a molecular weight of 385.51 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylmethanol is sourced from PubChem (CID 10643825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).