[3-(2-phenylethyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol

C12H15NO2 — CID 10932619

IUPAC[3-(2-phenylethyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
SMILESOCC1CC(CCc2ccccc2)=NO1
InChIInChI=1S/C12H15NO2/c14-9-12-8-11(13-15-12)7-6-10-4-2-1-3-5-10/h1-5,12,14H,6-9H2
InChIKeyHYPJYZSYYNOOTL-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.76
Rot. Bonds4

About [3-(2-phenylethyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol

[3-(2-phenylethyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol (PubChem CID 10932619) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is [3-(2-phenylethyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(2-phenylethyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
PubChem CID10932619
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name[3-(2-phenylethyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
SMILESOCC1CC(CCc2ccccc2)=NO1
InChIInChI=1S/C12H15NO2/c14-9-12-8-11(13-15-12)7-6-10-4-2-1-3-5-10/h1-5,12,14H,6-9H2
InChIKeyHYPJYZSYYNOOTL-UHFFFAOYSA-N
XLogP1.76
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(2-phenylethyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol?
The IUPAC name of [3-(2-phenylethyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol (CID 10932619) is [3-(2-phenylethyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol.
What is the SMILES notation for [3-(2-phenylethyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol?
The canonical SMILES for [3-(2-phenylethyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol is OCC1CC(CCc2ccccc2)=NO1.
What is the InChIKey of [3-(2-phenylethyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol?
The InChIKey is HYPJYZSYYNOOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c14-9-12-8-11(13-15-12)7-6-10-4-2-1-3-5-10/h1-5,12,14H,6-9H2.
What are the key properties of [3-(2-phenylethyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol?
[3-(2-phenylethyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol has a molecular weight of 205.26 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-phenylethyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol is sourced from PubChem (CID 10932619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).