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

C11H13NO2 — CID 13307489

IUPAC1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol
SMILESCC(O)C1CC(c2ccccc2)=NO1
InChIInChI=1S/C11H13NO2/c1-8(13)11-7-10(12-14-11)9-5-3-2-4-6-9/h2-6,8,11,13H,7H2,1H3
InChIKeyQKHZHBZGPDGOAG-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.56
Rot. Bonds2

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

1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol (PubChem CID 13307489) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol
PubChem CID13307489
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol
SMILESCC(O)C1CC(c2ccccc2)=NO1
InChIInChI=1S/C11H13NO2/c1-8(13)11-7-10(12-14-11)9-5-3-2-4-6-9/h2-6,8,11,13H,7H2,1H3
InChIKeyQKHZHBZGPDGOAG-UHFFFAOYSA-N
XLogP1.56
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-phenyl-1,6-dioxa-2-azaspiro(4.5)dec-2-ene-8,9,10-triol
CID 44263483
3-Phenyl-4,5-dihydroisoxazole-5-carboxylic acid
CID 555517
2-Propanone, (beta-hydroxyphenethyl)oxime
CID 3056709
Fluvoxamine metabolite F2
CID 154032615
2-(5-Phenyl-4,5-dihydro-3-isoxazolyl)-2-propanol
CID 2841581
5,6-Dihydro-3-(4-methylphenyl)-4H-1,2-oxazine-6-methanol
CID 11390107
(3-Phenyl-4,5-dihydroisoxazol-5-yl)methanol
CID 353147
2-Cyclohexen-1-one, 3-(4-(2-hydroxyethyl)phenyl)-, oxime
CID 9588137
(3-indan-5-yl-5,6-dihydro-4H-oxazin-6-yl)methanol
CID 25197533
[3-(3,4-dimethylphenyl)-5,6-dihydro-4H-oxazin-6-yl]methanol
CID 25197669
(4Z)-4-hydroxyimino-2,3-diphenylcyclopent-2-en-1-ol
CID 44420884
3-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]tellanylpropan-1-ol
CID 155523631

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol?
The IUPAC name of 1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol (CID 13307489) is 1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol.
What is the SMILES notation for 1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol?
The canonical SMILES for 1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol is CC(O)C1CC(c2ccccc2)=NO1.
What is the InChIKey of 1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol?
The InChIKey is QKHZHBZGPDGOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-8(13)11-7-10(12-14-11)9-5-3-2-4-6-9/h2-6,8,11,13H,7H2,1H3.
What are the key properties of 1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol?
1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol has a molecular weight of 191.23 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol is sourced from PubChem (CID 13307489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).