3,5-dimethyl-4-(3-methylbut-1-en-2-yl)-1,2-oxazole

C10H15NO — CID 130439624

IUPAC3,5-dimethyl-4-(3-methylbut-1-en-2-yl)-1,2-oxazole
SMILESC=C(c1c(C)noc1C)C(C)C
InChIInChI=1S/C10H15NO/c1-6(2)7(3)10-8(4)11-12-9(10)5/h6H,3H2,1-2,4-5H3
InChIKeyDJPJAYFSKQANEW-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.96
Rot. Bonds2

About 3,5-dimethyl-4-(3-methylbut-1-en-2-yl)-1,2-oxazole

3,5-dimethyl-4-(3-methylbut-1-en-2-yl)-1,2-oxazole (PubChem CID 130439624) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 3,5-dimethyl-4-(3-methylbut-1-en-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-(3-methylbut-1-en-2-yl)-1,2-oxazole
PubChem CID130439624
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name3,5-dimethyl-4-(3-methylbut-1-en-2-yl)-1,2-oxazole
SMILESC=C(c1c(C)noc1C)C(C)C
InChIInChI=1S/C10H15NO/c1-6(2)7(3)10-8(4)11-12-9(10)5/h6H,3H2,1-2,4-5H3
InChIKeyDJPJAYFSKQANEW-UHFFFAOYSA-N
XLogP2.96
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(3-methylbut-1-en-2-yl)-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-(3-methylbut-1-en-2-yl)-1,2-oxazole (CID 130439624) is 3,5-dimethyl-4-(3-methylbut-1-en-2-yl)-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-(3-methylbut-1-en-2-yl)-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-(3-methylbut-1-en-2-yl)-1,2-oxazole is C=C(c1c(C)noc1C)C(C)C.
What is the InChIKey of 3,5-dimethyl-4-(3-methylbut-1-en-2-yl)-1,2-oxazole?
The InChIKey is DJPJAYFSKQANEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-6(2)7(3)10-8(4)11-12-9(10)5/h6H,3H2,1-2,4-5H3.
What are the key properties of 3,5-dimethyl-4-(3-methylbut-1-en-2-yl)-1,2-oxazole?
3,5-dimethyl-4-(3-methylbut-1-en-2-yl)-1,2-oxazole has a molecular weight of 165.24 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(3-methylbut-1-en-2-yl)-1,2-oxazole is sourced from PubChem (CID 130439624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).