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

C19H21NO2 — CID 59101157

IUPAC2-[(4S)-2-methyl-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol
SMILESCC1=N[C@H](C(O)(Cc2ccccc2)Cc2ccccc2)CO1
InChIInChI=1S/C19H21NO2/c1-15-20-18(14-22-15)19(21,12-16-8-4-2-5-9-16)13-17-10-6-3-7-11-17/h2-11,18,21H,12-14H2,1H3/t18-/m0/s1
InChIKeyCGQREGYCSFXOOZ-SFHVURJKSA-N
MW295.38 g/mol
LogP3.02
Rot. Bonds5

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

2-[(4S)-2-methyl-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol (PubChem CID 59101157) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-[(4S)-2-methyl-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol.

Molecular Properties

Compound Name2-[(4S)-2-methyl-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol
PubChem CID59101157
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name2-[(4S)-2-methyl-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol
SMILESCC1=N[C@H](C(O)(Cc2ccccc2)Cc2ccccc2)CO1
InChIInChI=1S/C19H21NO2/c1-15-20-18(14-22-15)19(21,12-16-8-4-2-5-9-16)13-17-10-6-3-7-11-17/h2-11,18,21H,12-14H2,1H3/t18-/m0/s1
InChIKeyCGQREGYCSFXOOZ-SFHVURJKSA-N
XLogP3.02
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S,S)-2,2'-Methylenebis(4-phenyl-2-oxazoline)
CID 736684
(+)-2,2'-Isopropylidenebis[(4R)-4-benzyl-2-oxazoline]
CID 10981320
(R(R*,R*))-(+)-2,2'-(isopropylidenebis(4-benzyl-2-oxazoline)
CID 4660577
(4S,5R)-5-methyl-2-[2-[(4S,5R)-5-methyl-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-phenyl-4,5-dihydro-1,3-oxazole
CID 10546604
(4S)-2-[2-[(4S)-5,5-dimethyl-4-phenyl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-dimethyl-4-phenyl-4H-1,3-oxazole
CID 10897320
2,2'-Methylenebis((4S)-4-benzyl-4,5-dihydro-2-oxazole)
CID 11028000
2,2-Bis[(4S)-4-benzyl-2-oxazolin-2-yl]propane
CID 11125615
(4S,4'S)-2,2'-Propylidenebis[4,5-dihydro-4-phenyloxazole]
CID 56982768
4,5-Dihydro-2-methyl-4-[2-(4-octylphenyl)ethyl]-4-oxazolemethanol
CID 71316181
4-Methyl-2-(4-phenylbenzyl)-2-oxazoline-4-methanol
CID 193256
(4R)-4-phenyl-2-[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole
CID 1268081
Bis(4-phenyl-4,5-dihydrooxazol-2-yl)methane
CID 3611900

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-2-methyl-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol?
The IUPAC name of 2-[(4S)-2-methyl-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol (CID 59101157) is 2-[(4S)-2-methyl-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol.
What is the SMILES notation for 2-[(4S)-2-methyl-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol?
The canonical SMILES for 2-[(4S)-2-methyl-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol is CC1=N[C@H](C(O)(Cc2ccccc2)Cc2ccccc2)CO1.
What is the InChIKey of 2-[(4S)-2-methyl-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol?
The InChIKey is CGQREGYCSFXOOZ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21NO2/c1-15-20-18(14-22-15)19(21,12-16-8-4-2-5-9-16)13-17-10-6-3-7-11-17/h2-11,18,21H,12-14H2,1H3/t18-/m0/s1.
What are the key properties of 2-[(4S)-2-methyl-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol?
2-[(4S)-2-methyl-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol has a molecular weight of 295.38 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-2-methyl-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol is sourced from PubChem (CID 59101157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).