5-(2-butan-2-ylphenyl)-1,2-oxazole

C13H15NO — CID 143173501

IUPAC5-(2-butan-2-ylphenyl)-1,2-oxazole
SMILESCCC(C)c1ccccc1-c1ccno1
InChIInChI=1S/C13H15NO/c1-3-10(2)11-6-4-5-7-12(11)13-8-9-14-15-13/h4-10H,3H2,1-2H3
InChIKeySHTHGSUAYPZZJD-UHFFFAOYSA-N
MW201.27 g/mol
LogP3.86
Rot. Bonds3

About 5-(2-butan-2-ylphenyl)-1,2-oxazole

5-(2-butan-2-ylphenyl)-1,2-oxazole (PubChem CID 143173501) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 5-(2-butan-2-ylphenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(2-butan-2-ylphenyl)-1,2-oxazole
PubChem CID143173501
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name5-(2-butan-2-ylphenyl)-1,2-oxazole
SMILESCCC(C)c1ccccc1-c1ccno1
InChIInChI=1S/C13H15NO/c1-3-10(2)11-6-4-5-7-12(11)13-8-9-14-15-13/h4-10H,3H2,1-2H3
InChIKeySHTHGSUAYPZZJD-UHFFFAOYSA-N
XLogP3.86
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-butan-2-ylphenyl)-1,2-oxazole?
The IUPAC name of 5-(2-butan-2-ylphenyl)-1,2-oxazole (CID 143173501) is 5-(2-butan-2-ylphenyl)-1,2-oxazole.
What is the SMILES notation for 5-(2-butan-2-ylphenyl)-1,2-oxazole?
The canonical SMILES for 5-(2-butan-2-ylphenyl)-1,2-oxazole is CCC(C)c1ccccc1-c1ccno1.
What is the InChIKey of 5-(2-butan-2-ylphenyl)-1,2-oxazole?
The InChIKey is SHTHGSUAYPZZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-3-10(2)11-6-4-5-7-12(11)13-8-9-14-15-13/h4-10H,3H2,1-2H3.
What are the key properties of 5-(2-butan-2-ylphenyl)-1,2-oxazole?
5-(2-butan-2-ylphenyl)-1,2-oxazole has a molecular weight of 201.27 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-butan-2-ylphenyl)-1,2-oxazole is sourced from PubChem (CID 143173501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).