2-methyl-1,1-diphenyl-2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-1-ol

C25H25NO2 — CID 139085706

IUPAC2-methyl-1,1-diphenyl-2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-1-ol
SMILESCC(C)(C1=N[C@@H](c2ccccc2)CO1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25NO2/c1-24(2,23-26-22(18-28-23)19-12-6-3-7-13-19)25(27,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,22,27H,18H2,1-2H3/t22-/m1/s1
InChIKeyKNWJPWOMLPOAOL-JOCHJYFZSA-N
MW371.48 g/mol
LogP5.12
Rot. Bonds5

About 2-methyl-1,1-diphenyl-2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-1-ol

2-methyl-1,1-diphenyl-2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-1-ol (PubChem CID 139085706) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is 2-methyl-1,1-diphenyl-2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-1,1-diphenyl-2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-1-ol
PubChem CID139085706
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC Name2-methyl-1,1-diphenyl-2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-1-ol
SMILESCC(C)(C1=N[C@@H](c2ccccc2)CO1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25NO2/c1-24(2,23-26-22(18-28-23)19-12-6-3-7-13-19)25(27,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,22,27H,18H2,1-2H3/t22-/m1/s1
InChIKeyKNWJPWOMLPOAOL-JOCHJYFZSA-N
XLogP5.12
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,1-diphenyl-2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-1-ol?
The IUPAC name of 2-methyl-1,1-diphenyl-2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-1-ol (CID 139085706) is 2-methyl-1,1-diphenyl-2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-1-ol.
What is the SMILES notation for 2-methyl-1,1-diphenyl-2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-1-ol?
The canonical SMILES for 2-methyl-1,1-diphenyl-2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-1-ol is CC(C)(C1=N[C@@H](c2ccccc2)CO1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-methyl-1,1-diphenyl-2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-1-ol?
The InChIKey is KNWJPWOMLPOAOL-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H25NO2/c1-24(2,23-26-22(18-28-23)19-12-6-3-7-13-19)25(27,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,22,27H,18H2,1-2H3/t22-/m1/s1.
What are the key properties of 2-methyl-1,1-diphenyl-2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-1-ol?
2-methyl-1,1-diphenyl-2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-1-ol has a molecular weight of 371.48 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,1-diphenyl-2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-1-ol is sourced from PubChem (CID 139085706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).