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

C15H19NO2 — CID 11118305

IUPAC2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-phenylbut-3-en-2-ol
SMILESC=C(c1ccccc1)C(C)(O)C1=NC(C)(C)CO1
InChIInChI=1S/C15H19NO2/c1-11(12-8-6-5-7-9-12)15(4,17)13-16-14(2,3)10-18-13/h5-9,17H,1,10H2,2-4H3
InChIKeyLCFZLMKPITWIRB-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.66
Rot. Bonds3

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

2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-phenylbut-3-en-2-ol (PubChem CID 11118305) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-phenylbut-3-en-2-ol.

Molecular Properties

Compound Name2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-phenylbut-3-en-2-ol
PubChem CID11118305
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-phenylbut-3-en-2-ol
SMILESC=C(c1ccccc1)C(C)(O)C1=NC(C)(C)CO1
InChIInChI=1S/C15H19NO2/c1-11(12-8-6-5-7-9-12)15(4,17)13-16-14(2,3)10-18-13/h5-9,17H,1,10H2,2-4H3
InChIKeyLCFZLMKPITWIRB-UHFFFAOYSA-N
XLogP2.66
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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

Launch Full Analysis

Related Compounds

(1S,2S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylbut-3-en-1-ol
CID 11770706
Ethyl 2-hydroxy-2-phenylpropanimidate
CID 13947276
2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4,4-dimethyl-3-phenylpent-1-en-3-ol
CID 101238976
4,4-dimethyl-2-[(2S,3R)-2-methyl-3-phenyloxiran-2-yl]-5H-1,3-oxazole
CID 102378790
4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methyl-5-phenylpentan-2-ol
CID 134905112
(Z,1S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-phenylbut-2-en-1-ol
CID 134931420
2-[(2S)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3,3-diphenyloxiran-2-yl]propan-2-ol
CID 134998895
2-[(2S)-2-benzyl-3,3-dimethyloxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole
CID 134998900
(E)-1,4-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,4-diphenylbut-2-ene-1,4-diol
CID 135024581
2-Methyl-2-[(3,4,5,5-tetramethyl-4-phenyloxolan-2-ylidene)amino]propan-1-ol
CID 135024766
2-chloro-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-phenylethanol
CID 135025081
CID 135042482
CID 135042482

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-phenylbut-3-en-2-ol?
The IUPAC name of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-phenylbut-3-en-2-ol (CID 11118305) is 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-phenylbut-3-en-2-ol.
What is the SMILES notation for 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-phenylbut-3-en-2-ol?
The canonical SMILES for 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-phenylbut-3-en-2-ol is C=C(c1ccccc1)C(C)(O)C1=NC(C)(C)CO1.
What is the InChIKey of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-phenylbut-3-en-2-ol?
The InChIKey is LCFZLMKPITWIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-11(12-8-6-5-7-9-12)15(4,17)13-16-14(2,3)10-18-13/h5-9,17H,1,10H2,2-4H3.
What are the key properties of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-phenylbut-3-en-2-ol?
2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-phenylbut-3-en-2-ol has a molecular weight of 245.32 g/mol, XLogP of 2.66, 3 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)-3-phenylbut-3-en-2-ol is sourced from PubChem (CID 11118305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).