2-(2-tert-butylphenyl)-4,4-dimethyl-5H-1,3-oxazole

C15H21NO — CID 13184751

IUPAC2-(2-tert-butylphenyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccccc2C(C)(C)C)=N1
InChIInChI=1S/C15H21NO/c1-14(2,3)12-9-7-6-8-11(12)13-16-15(4,5)10-17-13/h6-9H,10H2,1-5H3
InChIKeyUKLYQTWONVIXSB-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.54
Rot. Bonds1

About 2-(2-tert-butylphenyl)-4,4-dimethyl-5H-1,3-oxazole

2-(2-tert-butylphenyl)-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 13184751) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-(2-tert-butylphenyl)-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-(2-tert-butylphenyl)-4,4-dimethyl-5H-1,3-oxazole
PubChem CID13184751
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-(2-tert-butylphenyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccccc2C(C)(C)C)=N1
InChIInChI=1S/C15H21NO/c1-14(2,3)12-9-7-6-8-11(12)13-16-15(4,5)10-17-13/h6-9H,10H2,1-5H3
InChIKeyUKLYQTWONVIXSB-UHFFFAOYSA-N
XLogP3.54
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenyl)-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-(2-tert-butylphenyl)-4,4-dimethyl-5H-1,3-oxazole (CID 13184751) is 2-(2-tert-butylphenyl)-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-(2-tert-butylphenyl)-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-(2-tert-butylphenyl)-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(c2ccccc2C(C)(C)C)=N1.
What is the InChIKey of 2-(2-tert-butylphenyl)-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is UKLYQTWONVIXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-14(2,3)12-9-7-6-8-11(12)13-16-15(4,5)10-17-13/h6-9H,10H2,1-5H3.
What are the key properties of 2-(2-tert-butylphenyl)-4,4-dimethyl-5H-1,3-oxazole?
2-(2-tert-butylphenyl)-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 231.34 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylphenyl)-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 13184751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).