5-tert-butyl-4-(2-methylprop-1-enyl)-1,3-oxazole

C11H17NO — CID 89056359

IUPAC5-tert-butyl-4-(2-methylprop-1-enyl)-1,3-oxazole
SMILESCC(C)=Cc1ncoc1C(C)(C)C
InChIInChI=1S/C11H17NO/c1-8(2)6-9-10(11(3,4)5)13-7-12-9/h6-7H,1-5H3
InChIKeyDOOYXHSWXZKOKG-UHFFFAOYSA-N
MW179.26 g/mol
LogP3.40
Rot. Bonds1

About 5-tert-butyl-4-(2-methylprop-1-enyl)-1,3-oxazole

5-tert-butyl-4-(2-methylprop-1-enyl)-1,3-oxazole (PubChem CID 89056359) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 5-tert-butyl-4-(2-methylprop-1-enyl)-1,3-oxazole.

Molecular Properties

Compound Name5-tert-butyl-4-(2-methylprop-1-enyl)-1,3-oxazole
PubChem CID89056359
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name5-tert-butyl-4-(2-methylprop-1-enyl)-1,3-oxazole
SMILESCC(C)=Cc1ncoc1C(C)(C)C
InChIInChI=1S/C11H17NO/c1-8(2)6-9-10(11(3,4)5)13-7-12-9/h6-7H,1-5H3
InChIKeyDOOYXHSWXZKOKG-UHFFFAOYSA-N
XLogP3.40
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-(2-methylprop-1-enyl)-1,3-oxazole?
The IUPAC name of 5-tert-butyl-4-(2-methylprop-1-enyl)-1,3-oxazole (CID 89056359) is 5-tert-butyl-4-(2-methylprop-1-enyl)-1,3-oxazole.
What is the SMILES notation for 5-tert-butyl-4-(2-methylprop-1-enyl)-1,3-oxazole?
The canonical SMILES for 5-tert-butyl-4-(2-methylprop-1-enyl)-1,3-oxazole is CC(C)=Cc1ncoc1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-4-(2-methylprop-1-enyl)-1,3-oxazole?
The InChIKey is DOOYXHSWXZKOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-8(2)6-9-10(11(3,4)5)13-7-12-9/h6-7H,1-5H3.
What are the key properties of 5-tert-butyl-4-(2-methylprop-1-enyl)-1,3-oxazole?
5-tert-butyl-4-(2-methylprop-1-enyl)-1,3-oxazole has a molecular weight of 179.26 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-(2-methylprop-1-enyl)-1,3-oxazole is sourced from PubChem (CID 89056359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).