2-[(4R,5R)-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol

C25H25NO2 — CID 66628295

IUPAC2-[(4R,5R)-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol
SMILESC[C@H]1OC(c2ccccc2)=N[C@H]1C(O)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H25NO2/c1-19-23(26-24(28-19)22-15-9-4-10-16-22)25(27,17-20-11-5-2-6-12-20)18-21-13-7-3-8-14-21/h2-16,19,23,27H,17-18H2,1H3/t19-,23-/m1/s1
InChIKeyMVAZPCHNBAUIJX-AUSIDOKSSA-N
MW371.48 g/mol
LogP4.44
Rot. Bonds6

About 2-[(4R,5R)-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol

2-[(4R,5R)-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol (PubChem CID 66628295) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is 2-[(4R,5R)-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol.

Molecular Properties

Compound Name2-[(4R,5R)-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol
PubChem CID66628295
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC Name2-[(4R,5R)-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol
SMILESC[C@H]1OC(c2ccccc2)=N[C@H]1C(O)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H25NO2/c1-19-23(26-24(28-19)22-15-9-4-10-16-22)25(27,17-20-11-5-2-6-12-20)18-21-13-7-3-8-14-21/h2-16,19,23,27H,17-18H2,1H3/t19-,23-/m1/s1
InChIKeyMVAZPCHNBAUIJX-AUSIDOKSSA-N
XLogP4.44
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4R,5R)-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol?
The IUPAC name of 2-[(4R,5R)-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol (CID 66628295) is 2-[(4R,5R)-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol.
What is the SMILES notation for 2-[(4R,5R)-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol?
The canonical SMILES for 2-[(4R,5R)-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol is C[C@H]1OC(c2ccccc2)=N[C@H]1C(O)(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-[(4R,5R)-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol?
The InChIKey is MVAZPCHNBAUIJX-AUSIDOKSSA-N. The full InChI is InChI=1S/C25H25NO2/c1-19-23(26-24(28-19)22-15-9-4-10-16-22)25(27,17-20-11-5-2-6-12-20)18-21-13-7-3-8-14-21/h2-16,19,23,27H,17-18H2,1H3/t19-,23-/m1/s1.
What are the key properties of 2-[(4R,5R)-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol?
2-[(4R,5R)-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol has a molecular weight of 371.48 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R,5R)-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol is sourced from PubChem (CID 66628295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).