3,5-ditert-butyl-4-propan-2-yl-2H-1,3-oxazole

C14H27NO — CID 59616782

IUPAC3,5-ditert-butyl-4-propan-2-yl-2H-1,3-oxazole
SMILESCC(C)C1=C(C(C)(C)C)OCN1C(C)(C)C
InChIInChI=1S/C14H27NO/c1-10(2)11-12(13(3,4)5)16-9-15(11)14(6,7)8/h10H,9H2,1-8H3
InChIKeyZXTVGKFZWATSER-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.99
Rot. Bonds1

About 3,5-ditert-butyl-4-propan-2-yl-2H-1,3-oxazole

3,5-ditert-butyl-4-propan-2-yl-2H-1,3-oxazole (PubChem CID 59616782) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 3,5-ditert-butyl-4-propan-2-yl-2H-1,3-oxazole.

Molecular Properties

Compound Name3,5-ditert-butyl-4-propan-2-yl-2H-1,3-oxazole
PubChem CID59616782
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name3,5-ditert-butyl-4-propan-2-yl-2H-1,3-oxazole
SMILESCC(C)C1=C(C(C)(C)C)OCN1C(C)(C)C
InChIInChI=1S/C14H27NO/c1-10(2)11-12(13(3,4)5)16-9-15(11)14(6,7)8/h10H,9H2,1-8H3
InChIKeyZXTVGKFZWATSER-UHFFFAOYSA-N
XLogP3.99
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butyl-4-propan-2-yl-2H-1,3-oxazole?
The IUPAC name of 3,5-ditert-butyl-4-propan-2-yl-2H-1,3-oxazole (CID 59616782) is 3,5-ditert-butyl-4-propan-2-yl-2H-1,3-oxazole.
What is the SMILES notation for 3,5-ditert-butyl-4-propan-2-yl-2H-1,3-oxazole?
The canonical SMILES for 3,5-ditert-butyl-4-propan-2-yl-2H-1,3-oxazole is CC(C)C1=C(C(C)(C)C)OCN1C(C)(C)C.
What is the InChIKey of 3,5-ditert-butyl-4-propan-2-yl-2H-1,3-oxazole?
The InChIKey is ZXTVGKFZWATSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-10(2)11-12(13(3,4)5)16-9-15(11)14(6,7)8/h10H,9H2,1-8H3.
What are the key properties of 3,5-ditert-butyl-4-propan-2-yl-2H-1,3-oxazole?
3,5-ditert-butyl-4-propan-2-yl-2H-1,3-oxazole has a molecular weight of 225.38 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-ditert-butyl-4-propan-2-yl-2H-1,3-oxazole is sourced from PubChem (CID 59616782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).