5-tert-butyl-3-phenyl-4H-1,2-oxazol-5-ol

C13H17NO2 — CID 2853587

IUPAC5-tert-butyl-3-phenyl-4H-1,2-oxazol-5-ol
SMILESCC(C)(C)C1(O)CC(c2ccccc2)=NO1
InChIInChI=1S/C13H17NO2/c1-12(2,3)13(15)9-11(14-16-13)10-7-5-4-6-8-10/h4-8,15H,9H2,1-3H3
InChIKeyLGBJDIDPIXMVAU-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.55
Rot. Bonds1

About 5-tert-butyl-3-phenyl-4H-1,2-oxazol-5-ol

5-tert-butyl-3-phenyl-4H-1,2-oxazol-5-ol (PubChem CID 2853587) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 5-tert-butyl-3-phenyl-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name5-tert-butyl-3-phenyl-4H-1,2-oxazol-5-ol
PubChem CID2853587
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name5-tert-butyl-3-phenyl-4H-1,2-oxazol-5-ol
SMILESCC(C)(C)C1(O)CC(c2ccccc2)=NO1
InChIInChI=1S/C13H17NO2/c1-12(2,3)13(15)9-11(14-16-13)10-7-5-4-6-8-10/h4-8,15H,9H2,1-3H3
InChIKeyLGBJDIDPIXMVAU-UHFFFAOYSA-N
XLogP2.55
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-phenyl-4H-1,2-oxazol-5-ol?
The IUPAC name of 5-tert-butyl-3-phenyl-4H-1,2-oxazol-5-ol (CID 2853587) is 5-tert-butyl-3-phenyl-4H-1,2-oxazol-5-ol.
What is the SMILES notation for 5-tert-butyl-3-phenyl-4H-1,2-oxazol-5-ol?
The canonical SMILES for 5-tert-butyl-3-phenyl-4H-1,2-oxazol-5-ol is CC(C)(C)C1(O)CC(c2ccccc2)=NO1.
What is the InChIKey of 5-tert-butyl-3-phenyl-4H-1,2-oxazol-5-ol?
The InChIKey is LGBJDIDPIXMVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-12(2,3)13(15)9-11(14-16-13)10-7-5-4-6-8-10/h4-8,15H,9H2,1-3H3.
What are the key properties of 5-tert-butyl-3-phenyl-4H-1,2-oxazol-5-ol?
5-tert-butyl-3-phenyl-4H-1,2-oxazol-5-ol has a molecular weight of 219.28 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-phenyl-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 2853587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).