3,4,5-tritert-butyl-2H-1,3-oxazole

C15H29NO — CID 137410818

IUPAC3,4,5-tritert-butyl-2H-1,3-oxazole
SMILESCC(C)(C)C1=C(C(C)(C)C)N(C(C)(C)C)CO1
InChIInChI=1S/C15H29NO/c1-13(2,3)11-12(14(4,5)6)17-10-16(11)15(7,8)9/h10H2,1-9H3
InChIKeyUTSGWBXEIQTWNC-UHFFFAOYSA-N
MW239.40 g/mol
LogP4.38
Rot. Bonds

About 3,4,5-tritert-butyl-2H-1,3-oxazole

3,4,5-tritert-butyl-2H-1,3-oxazole (PubChem CID 137410818) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 3,4,5-tritert-butyl-2H-1,3-oxazole.

Molecular Properties

Compound Name3,4,5-tritert-butyl-2H-1,3-oxazole
PubChem CID137410818
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name3,4,5-tritert-butyl-2H-1,3-oxazole
SMILESCC(C)(C)C1=C(C(C)(C)C)N(C(C)(C)C)CO1
InChIInChI=1S/C15H29NO/c1-13(2,3)11-12(14(4,5)6)17-10-16(11)15(7,8)9/h10H2,1-9H3
InChIKeyUTSGWBXEIQTWNC-UHFFFAOYSA-N
XLogP4.38
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,4,5-tritert-butyl-2H-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4,5-tritert-butyl-2H-1,3-oxazole?
The IUPAC name of 3,4,5-tritert-butyl-2H-1,3-oxazole (CID 137410818) is 3,4,5-tritert-butyl-2H-1,3-oxazole.
What is the SMILES notation for 3,4,5-tritert-butyl-2H-1,3-oxazole?
The canonical SMILES for 3,4,5-tritert-butyl-2H-1,3-oxazole is CC(C)(C)C1=C(C(C)(C)C)N(C(C)(C)C)CO1.
What is the InChIKey of 3,4,5-tritert-butyl-2H-1,3-oxazole?
The InChIKey is UTSGWBXEIQTWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-13(2,3)11-12(14(4,5)6)17-10-16(11)15(7,8)9/h10H2,1-9H3.
What are the key properties of 3,4,5-tritert-butyl-2H-1,3-oxazole?
3,4,5-tritert-butyl-2H-1,3-oxazole has a molecular weight of 239.40 g/mol, XLogP of 4.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-tritert-butyl-2H-1,3-oxazole is sourced from PubChem (CID 137410818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).