2-(4,5-dihydro-1,2-oxazol-3-yl)-2-phenylethanol

C11H13NO2 — CID 130124537

IUPAC2-(4,5-dihydro-1,2-oxazol-3-yl)-2-phenylethanol
SMILESOCC(C1=NOCC1)c1ccccc1
InChIInChI=1S/C11H13NO2/c13-8-10(11-6-7-14-12-11)9-4-2-1-3-5-9/h1-5,10,13H,6-8H2
InChIKeyYVFMKIVAQAEHAK-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.54
Rot. Bonds3

About 2-(4,5-dihydro-1,2-oxazol-3-yl)-2-phenylethanol

2-(4,5-dihydro-1,2-oxazol-3-yl)-2-phenylethanol (PubChem CID 130124537) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,2-oxazol-3-yl)-2-phenylethanol.

Molecular Properties

Compound Name2-(4,5-dihydro-1,2-oxazol-3-yl)-2-phenylethanol
PubChem CID130124537
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-(4,5-dihydro-1,2-oxazol-3-yl)-2-phenylethanol
SMILESOCC(C1=NOCC1)c1ccccc1
InChIInChI=1S/C11H13NO2/c13-8-10(11-6-7-14-12-11)9-4-2-1-3-5-9/h1-5,10,13H,6-8H2
InChIKeyYVFMKIVAQAEHAK-UHFFFAOYSA-N
XLogP1.54
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4,5-dihydro-1,2-oxazol-3-yl)-2-phenylethanol 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-(cyclobuten-1-yl)-2-phenylethanol
CID 71775978
2-(1,3-dioxolan-2-yl)-2-phenylethanol
CID 102198960
2-(3-bromophenyl)-2-phenylethanol
CID 118542656
2-anthracen-9-yl-2-phenylethanol
CID 87369453
2-chloro-3,3-diphenylpropan-1-ol
CID 57151850
dideuterio(4,5-dihydro-1,2-oxazol-3-yl)methanol
CID 118553097
(2R,3S)-2,3-dibromo-3-phenylpropan-1-ol
CID 11300855
(2S)-2-(oxan-2-yl)-2-phenylethanol
CID 101229942
2-dibenzofuran-1-yl-2-phenylethanol
CID 174728912
lithium benzhydrylbenzene
CID 18381038
azane;benzhydrylbenzene
CID 70581647
2-[2-(2,2-diphenylethyl)morpholin-4-yl]propane-1,3-diol
CID 56862185

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,2-oxazol-3-yl)-2-phenylethanol?
The IUPAC name of 2-(4,5-dihydro-1,2-oxazol-3-yl)-2-phenylethanol (CID 130124537) is 2-(4,5-dihydro-1,2-oxazol-3-yl)-2-phenylethanol.
What is the SMILES notation for 2-(4,5-dihydro-1,2-oxazol-3-yl)-2-phenylethanol?
The canonical SMILES for 2-(4,5-dihydro-1,2-oxazol-3-yl)-2-phenylethanol is OCC(C1=NOCC1)c1ccccc1.
What is the InChIKey of 2-(4,5-dihydro-1,2-oxazol-3-yl)-2-phenylethanol?
The InChIKey is YVFMKIVAQAEHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c13-8-10(11-6-7-14-12-11)9-4-2-1-3-5-9/h1-5,10,13H,6-8H2.
What are the key properties of 2-(4,5-dihydro-1,2-oxazol-3-yl)-2-phenylethanol?
2-(4,5-dihydro-1,2-oxazol-3-yl)-2-phenylethanol has a molecular weight of 191.23 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,2-oxazol-3-yl)-2-phenylethanol is sourced from PubChem (CID 130124537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).