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

C15H19NO2 — CID 11770706

IUPAC(1S,2S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylbut-3-en-1-ol
SMILESC=C[C@@H](c1ccccc1)[C@H](O)C1=NC(C)(C)CO1
InChIInChI=1S/C15H19NO2/c1-4-12(11-8-6-5-7-9-11)13(17)14-16-15(2,3)10-18-14/h4-9,12-13,17H,1,10H2,2-3H3/t12-,13-/m0/s1
InChIKeyDSRXQAMTZPYLIC-STQMWFEESA-N
MW245.32 g/mol
LogP2.52
Rot. Bonds4

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

(1S,2S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylbut-3-en-1-ol (PubChem CID 11770706) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (1S,2S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylbut-3-en-1-ol.

Molecular Properties

Compound Name(1S,2S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylbut-3-en-1-ol
PubChem CID11770706
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(1S,2S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylbut-3-en-1-ol
SMILESC=C[C@@H](c1ccccc1)[C@H](O)C1=NC(C)(C)CO1
InChIInChI=1S/C15H19NO2/c1-4-12(11-8-6-5-7-9-11)13(17)14-16-15(2,3)10-18-14/h4-9,12-13,17H,1,10H2,2-3H3/t12-,13-/m0/s1
InChIKeyDSRXQAMTZPYLIC-STQMWFEESA-N
XLogP2.52
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1S,2S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylbut-3-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

Related Compounds

2-(2-Phenylethyl)-4,4(5H)-oxazoledimethanol
CID 1511173
4-Methyl-2-(4-phenylbenzyl)-2-oxazoline-4-methanol
CID 193256
(4R,5S)-5-butyl-3-phenyl-4,5-dihydro-1,2-oxazol-4-ol
CID 11085303
4,4-Dimethyl-2-(1-phenylethyl)-4,5-dihydro-1,3-oxazole
CID 71405550
2-(2-Hydroxy-1-phenylethyl)-4,4-dimethyl-1,3-oxazol-5(4H)-one
CID 71427696
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-benzyl-3,3-dimethyloxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole
CID 134998900
2-Methyl-2-[(3,4,5,5-tetramethyl-4-phenyloxolan-2-ylidene)amino]propan-1-ol
CID 135024766
Rac-2-(2-hydroxy-1-phenylethyl)-4,4-dimethyl-1,3-oxazol-5(4h)-one
CID 139059824
(4S,5S)-5-butyl-3-phenyl-4,5-dihydro-1,2-oxazol-4-ol
CID 146018737
1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylbuta-2,3-dien-1-ol
CID 11075659

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylbut-3-en-1-ol?
The IUPAC name of (1S,2S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylbut-3-en-1-ol (CID 11770706) is (1S,2S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylbut-3-en-1-ol.
What is the SMILES notation for (1S,2S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylbut-3-en-1-ol?
The canonical SMILES for (1S,2S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylbut-3-en-1-ol is C=C[C@@H](c1ccccc1)[C@H](O)C1=NC(C)(C)CO1.
What is the InChIKey of (1S,2S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylbut-3-en-1-ol?
The InChIKey is DSRXQAMTZPYLIC-STQMWFEESA-N. The full InChI is InChI=1S/C15H19NO2/c1-4-12(11-8-6-5-7-9-11)13(17)14-16-15(2,3)10-18-14/h4-9,12-13,17H,1,10H2,2-3H3/t12-,13-/m0/s1.
What are the key properties of (1S,2S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylbut-3-en-1-ol?
(1S,2S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylbut-3-en-1-ol has a molecular weight of 245.32 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylbut-3-en-1-ol is sourced from PubChem (CID 11770706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).