2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,1-diphenylprop-2-en-1-ol

C20H21NO2 — CID 12969925

IUPAC2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,1-diphenylprop-2-en-1-ol
SMILESC=C(C1=NC(C)(C)CO1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H21NO2/c1-15(18-21-19(2,3)14-23-18)20(22,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,22H,1,14H2,2-3H3
InChIKeyGCFLWZCDGPFXJH-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.69
Rot. Bonds4

About 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,1-diphenylprop-2-en-1-ol

2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,1-diphenylprop-2-en-1-ol (PubChem CID 12969925) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,1-diphenylprop-2-en-1-ol.

Molecular Properties

Compound Name2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,1-diphenylprop-2-en-1-ol
PubChem CID12969925
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,1-diphenylprop-2-en-1-ol
SMILESC=C(C1=NC(C)(C)CO1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H21NO2/c1-15(18-21-19(2,3)14-23-18)20(22,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,22H,1,14H2,2-3H3
InChIKeyGCFLWZCDGPFXJH-UHFFFAOYSA-N
XLogP3.69
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,1-diphenylprop-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,1-diphenylprop-2-en-1-ol?
The IUPAC name of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,1-diphenylprop-2-en-1-ol (CID 12969925) is 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,1-diphenylprop-2-en-1-ol.
What is the SMILES notation for 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,1-diphenylprop-2-en-1-ol?
The canonical SMILES for 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,1-diphenylprop-2-en-1-ol is C=C(C1=NC(C)(C)CO1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,1-diphenylprop-2-en-1-ol?
The InChIKey is GCFLWZCDGPFXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-15(18-21-19(2,3)14-23-18)20(22,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,22H,1,14H2,2-3H3.
What are the key properties of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,1-diphenylprop-2-en-1-ol?
2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,1-diphenylprop-2-en-1-ol has a molecular weight of 307.39 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,1-diphenylprop-2-en-1-ol is sourced from PubChem (CID 12969925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).