2-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]propan-1-ol

C12H15NO2 — CID 117293630

IUPAC2-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]propan-1-ol
SMILESCC(CO)c1ccccc1C1=NCCO1
InChIInChI=1S/C12H15NO2/c1-9(8-14)10-4-2-3-5-11(10)12-13-6-7-15-12/h2-5,9,14H,6-8H2,1H3
InChIKeySPJPCNCOTSNLKO-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.56
Rot. Bonds3

About 2-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]propan-1-ol

2-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]propan-1-ol (PubChem CID 117293630) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]propan-1-ol
PubChem CID117293630
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]propan-1-ol
SMILESCC(CO)c1ccccc1C1=NCCO1
InChIInChI=1S/C12H15NO2/c1-9(8-14)10-4-2-3-5-11(10)12-13-6-7-15-12/h2-5,9,14H,6-8H2,1H3
InChIKeySPJPCNCOTSNLKO-UHFFFAOYSA-N
XLogP1.56
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]propan-1-ol?
The IUPAC name of 2-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]propan-1-ol (CID 117293630) is 2-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]propan-1-ol.
What is the SMILES notation for 2-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]propan-1-ol?
The canonical SMILES for 2-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]propan-1-ol is CC(CO)c1ccccc1C1=NCCO1.
What is the InChIKey of 2-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]propan-1-ol?
The InChIKey is SPJPCNCOTSNLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-9(8-14)10-4-2-3-5-11(10)12-13-6-7-15-12/h2-5,9,14H,6-8H2,1H3.
What are the key properties of 2-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]propan-1-ol?
2-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]propan-1-ol has a molecular weight of 205.26 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]propan-1-ol is sourced from PubChem (CID 117293630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).