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

C14H25NO — CID 146657080

IUPAC3,4-ditert-butyl-5-propan-2-yl-1,2-oxazole
SMILESCC(C)c1onc(C(C)(C)C)c1C(C)(C)C
InChIInChI=1S/C14H25NO/c1-9(2)11-10(13(3,4)5)12(15-16-11)14(6,7)8/h9H,1-8H3
InChIKeyUIHUDGIXCQLYMZ-UHFFFAOYSA-N
MW223.36 g/mol
LogP4.39
Rot. Bonds1

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

3,4-ditert-butyl-5-propan-2-yl-1,2-oxazole (PubChem CID 146657080) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 3,4-ditert-butyl-5-propan-2-yl-1,2-oxazole.

Molecular Properties

Compound Name3,4-ditert-butyl-5-propan-2-yl-1,2-oxazole
PubChem CID146657080
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name3,4-ditert-butyl-5-propan-2-yl-1,2-oxazole
SMILESCC(C)c1onc(C(C)(C)C)c1C(C)(C)C
InChIInChI=1S/C14H25NO/c1-9(2)11-10(13(3,4)5)12(15-16-11)14(6,7)8/h9H,1-8H3
InChIKeyUIHUDGIXCQLYMZ-UHFFFAOYSA-N
XLogP4.39
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-ditert-butyl-5-propan-2-yl-1,2-oxazole?
The IUPAC name of 3,4-ditert-butyl-5-propan-2-yl-1,2-oxazole (CID 146657080) is 3,4-ditert-butyl-5-propan-2-yl-1,2-oxazole.
What is the SMILES notation for 3,4-ditert-butyl-5-propan-2-yl-1,2-oxazole?
The canonical SMILES for 3,4-ditert-butyl-5-propan-2-yl-1,2-oxazole is CC(C)c1onc(C(C)(C)C)c1C(C)(C)C.
What is the InChIKey of 3,4-ditert-butyl-5-propan-2-yl-1,2-oxazole?
The InChIKey is UIHUDGIXCQLYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-9(2)11-10(13(3,4)5)12(15-16-11)14(6,7)8/h9H,1-8H3.
What are the key properties of 3,4-ditert-butyl-5-propan-2-yl-1,2-oxazole?
3,4-ditert-butyl-5-propan-2-yl-1,2-oxazole has a molecular weight of 223.36 g/mol, XLogP of 4.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-ditert-butyl-5-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 146657080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).