5-tert-butyl-5-methyl-3-propyl-4H-1,2-oxazole

C11H21NO — CID 58989909

IUPAC5-tert-butyl-5-methyl-3-propyl-4H-1,2-oxazole
SMILESCCCC1=NOC(C)(C(C)(C)C)C1
InChIInChI=1S/C11H21NO/c1-6-7-9-8-11(5,13-12-9)10(2,3)4/h6-8H2,1-5H3
InChIKeyKWYWTVRWXFZNJO-UHFFFAOYSA-N
MW183.29 g/mol
LogP3.37
Rot. Bonds2

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

5-tert-butyl-5-methyl-3-propyl-4H-1,2-oxazole (PubChem CID 58989909) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 5-tert-butyl-5-methyl-3-propyl-4H-1,2-oxazole.

Molecular Properties

Compound Name5-tert-butyl-5-methyl-3-propyl-4H-1,2-oxazole
PubChem CID58989909
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name5-tert-butyl-5-methyl-3-propyl-4H-1,2-oxazole
SMILESCCCC1=NOC(C)(C(C)(C)C)C1
InChIInChI=1S/C11H21NO/c1-6-7-9-8-11(5,13-12-9)10(2,3)4/h6-8H2,1-5H3
InChIKeyKWYWTVRWXFZNJO-UHFFFAOYSA-N
XLogP3.37
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-5-methyl-3-propyl-4H-1,2-oxazole?
The IUPAC name of 5-tert-butyl-5-methyl-3-propyl-4H-1,2-oxazole (CID 58989909) is 5-tert-butyl-5-methyl-3-propyl-4H-1,2-oxazole.
What is the SMILES notation for 5-tert-butyl-5-methyl-3-propyl-4H-1,2-oxazole?
The canonical SMILES for 5-tert-butyl-5-methyl-3-propyl-4H-1,2-oxazole is CCCC1=NOC(C)(C(C)(C)C)C1.
What is the InChIKey of 5-tert-butyl-5-methyl-3-propyl-4H-1,2-oxazole?
The InChIKey is KWYWTVRWXFZNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-6-7-9-8-11(5,13-12-9)10(2,3)4/h6-8H2,1-5H3.
What are the key properties of 5-tert-butyl-5-methyl-3-propyl-4H-1,2-oxazole?
5-tert-butyl-5-methyl-3-propyl-4H-1,2-oxazole has a molecular weight of 183.29 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-5-methyl-3-propyl-4H-1,2-oxazole is sourced from PubChem (CID 58989909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).