3,5-ditert-butyl-5-methyl-4H-1,2-oxazole

C12H23NO — CID 58735361

IUPAC3,5-ditert-butyl-5-methyl-4H-1,2-oxazole
SMILESCC(C)(C)C1=NOC(C)(C(C)(C)C)C1
InChIInChI=1S/C12H23NO/c1-10(2,3)9-8-12(7,14-13-9)11(4,5)6/h8H2,1-7H3
InChIKeyLZHLCQVZJKMPLC-UHFFFAOYSA-N
MW197.32 g/mol
LogP3.61
Rot. Bonds

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

3,5-ditert-butyl-5-methyl-4H-1,2-oxazole (PubChem CID 58735361) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3,5-ditert-butyl-5-methyl-4H-1,2-oxazole.

Molecular Properties

Compound Name3,5-ditert-butyl-5-methyl-4H-1,2-oxazole
PubChem CID58735361
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3,5-ditert-butyl-5-methyl-4H-1,2-oxazole
SMILESCC(C)(C)C1=NOC(C)(C(C)(C)C)C1
InChIInChI=1S/C12H23NO/c1-10(2,3)9-8-12(7,14-13-9)11(4,5)6/h8H2,1-7H3
InChIKeyLZHLCQVZJKMPLC-UHFFFAOYSA-N
XLogP3.61
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 53.61
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-5-methyl-4H-1,2-oxazole?
The IUPAC name of 3,5-ditert-butyl-5-methyl-4H-1,2-oxazole (CID 58735361) is 3,5-ditert-butyl-5-methyl-4H-1,2-oxazole.
What is the SMILES notation for 3,5-ditert-butyl-5-methyl-4H-1,2-oxazole?
The canonical SMILES for 3,5-ditert-butyl-5-methyl-4H-1,2-oxazole is CC(C)(C)C1=NOC(C)(C(C)(C)C)C1.
What is the InChIKey of 3,5-ditert-butyl-5-methyl-4H-1,2-oxazole?
The InChIKey is LZHLCQVZJKMPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(2,3)9-8-12(7,14-13-9)11(4,5)6/h8H2,1-7H3.
What are the key properties of 3,5-ditert-butyl-5-methyl-4H-1,2-oxazole?
3,5-ditert-butyl-5-methyl-4H-1,2-oxazole has a molecular weight of 197.32 g/mol, XLogP of 3.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-ditert-butyl-5-methyl-4H-1,2-oxazole is sourced from PubChem (CID 58735361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).