2-(2-ethyl-4,5-dihydro-1,3-oxazol-4-yl)-1,3-diphenylpropan-2-ol

C20H23NO2 — CID 20596642

IUPAC2-(2-ethyl-4,5-dihydro-1,3-oxazol-4-yl)-1,3-diphenylpropan-2-ol
SMILESCCC1=NC(C(O)(Cc2ccccc2)Cc2ccccc2)CO1
InChIInChI=1S/C20H23NO2/c1-2-19-21-18(15-23-19)20(22,13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12,18,22H,2,13-15H2,1H3
InChIKeyTZGMGUADIAHOIE-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.41
Rot. Bonds6

About 2-(2-ethyl-4,5-dihydro-1,3-oxazol-4-yl)-1,3-diphenylpropan-2-ol

2-(2-ethyl-4,5-dihydro-1,3-oxazol-4-yl)-1,3-diphenylpropan-2-ol (PubChem CID 20596642) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-(2-ethyl-4,5-dihydro-1,3-oxazol-4-yl)-1,3-diphenylpropan-2-ol.

Molecular Properties

Compound Name2-(2-ethyl-4,5-dihydro-1,3-oxazol-4-yl)-1,3-diphenylpropan-2-ol
PubChem CID20596642
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name2-(2-ethyl-4,5-dihydro-1,3-oxazol-4-yl)-1,3-diphenylpropan-2-ol
SMILESCCC1=NC(C(O)(Cc2ccccc2)Cc2ccccc2)CO1
InChIInChI=1S/C20H23NO2/c1-2-19-21-18(15-23-19)20(22,13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12,18,22H,2,13-15H2,1H3
InChIKeyTZGMGUADIAHOIE-UHFFFAOYSA-N
XLogP3.41
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4S)-2-tert-butyl-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol
CID 59101168
2-[2-(3,5-ditert-butylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol
CID 22987247
(4S)-4-tert-butyl-2-ethyl-4,5-dihydro-1,3-oxazole
CID 59893979
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
2-(oxolan-3-yl)-1-phenylbutan-2-ol
CID 79007844
2-(oxan-4-yl)-1-phenylbutan-2-ol
CID 79008382
1-phenylpentane-2,2-diol
CID 56635388
2-[(4R,5R)-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol
CID 66628295
2-benzyl-4-butyl-4,5-dihydro-1,3-oxazole
CID 159605678
[2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)-1,3-diphenylpropan-2-yl]oxy-diphenylphosphane
CID 20596632
2-[1,3-diphenyl-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 72772752
azane;3-benzylpentan-3-ol
CID 173295411

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-4,5-dihydro-1,3-oxazol-4-yl)-1,3-diphenylpropan-2-ol?
The IUPAC name of 2-(2-ethyl-4,5-dihydro-1,3-oxazol-4-yl)-1,3-diphenylpropan-2-ol (CID 20596642) is 2-(2-ethyl-4,5-dihydro-1,3-oxazol-4-yl)-1,3-diphenylpropan-2-ol.
What is the SMILES notation for 2-(2-ethyl-4,5-dihydro-1,3-oxazol-4-yl)-1,3-diphenylpropan-2-ol?
The canonical SMILES for 2-(2-ethyl-4,5-dihydro-1,3-oxazol-4-yl)-1,3-diphenylpropan-2-ol is CCC1=NC(C(O)(Cc2ccccc2)Cc2ccccc2)CO1.
What is the InChIKey of 2-(2-ethyl-4,5-dihydro-1,3-oxazol-4-yl)-1,3-diphenylpropan-2-ol?
The InChIKey is TZGMGUADIAHOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-2-19-21-18(15-23-19)20(22,13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12,18,22H,2,13-15H2,1H3.
What are the key properties of 2-(2-ethyl-4,5-dihydro-1,3-oxazol-4-yl)-1,3-diphenylpropan-2-ol?
2-(2-ethyl-4,5-dihydro-1,3-oxazol-4-yl)-1,3-diphenylpropan-2-ol has a molecular weight of 309.41 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-4,5-dihydro-1,3-oxazol-4-yl)-1,3-diphenylpropan-2-ol is sourced from PubChem (CID 20596642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).