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

C12H15NO2 — CID 2841581

IUPAC2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)propan-2-ol
SMILESCC(C)(O)C1=NOC(c2ccccc2)C1
InChIInChI=1S/C12H15NO2/c1-12(2,14)11-8-10(15-13-11)9-6-4-3-5-7-9/h3-7,10,14H,8H2,1-2H3
InChIKeyQMFVYSCUGFYTEW-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.27
Rot. Bonds2

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

2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)propan-2-ol (PubChem CID 2841581) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)propan-2-ol.

Molecular Properties

Compound Name2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)propan-2-ol
PubChem CID2841581
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)propan-2-ol
SMILESCC(C)(O)C1=NOC(c2ccccc2)C1
InChIInChI=1S/C12H15NO2/c1-12(2,14)11-8-10(15-13-11)9-6-4-3-5-7-9/h3-7,10,14H,8H2,1-2H3
InChIKeyQMFVYSCUGFYTEW-UHFFFAOYSA-N
XLogP2.27
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)propan-2-ol?
The IUPAC name of 2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)propan-2-ol (CID 2841581) is 2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)propan-2-ol.
What is the SMILES notation for 2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)propan-2-ol?
The canonical SMILES for 2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)propan-2-ol is CC(C)(O)C1=NOC(c2ccccc2)C1.
What is the InChIKey of 2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)propan-2-ol?
The InChIKey is QMFVYSCUGFYTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-12(2,14)11-8-10(15-13-11)9-6-4-3-5-7-9/h3-7,10,14H,8H2,1-2H3.
What are the key properties of 2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)propan-2-ol?
2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)propan-2-ol has a molecular weight of 205.26 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)propan-2-ol is sourced from PubChem (CID 2841581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).