5-methyl-3-(2-methylpentan-3-yl)-1,2-oxazole

C10H17NO — CID 166844258

IUPAC5-methyl-3-(2-methylpentan-3-yl)-1,2-oxazole
SMILESCCC(c1cc(C)on1)C(C)C
InChIInChI=1S/C10H17NO/c1-5-9(7(2)3)10-6-8(4)12-11-10/h6-7,9H,5H2,1-4H3
InChIKeyJZEOMBBWENOUIR-UHFFFAOYSA-N
MW167.25 g/mol
LogP3.13
Rot. Bonds3

About 5-methyl-3-(2-methylpentan-3-yl)-1,2-oxazole

5-methyl-3-(2-methylpentan-3-yl)-1,2-oxazole (PubChem CID 166844258) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 5-methyl-3-(2-methylpentan-3-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-(2-methylpentan-3-yl)-1,2-oxazole
PubChem CID166844258
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name5-methyl-3-(2-methylpentan-3-yl)-1,2-oxazole
SMILESCCC(c1cc(C)on1)C(C)C
InChIInChI=1S/C10H17NO/c1-5-9(7(2)3)10-6-8(4)12-11-10/h6-7,9H,5H2,1-4H3
InChIKeyJZEOMBBWENOUIR-UHFFFAOYSA-N
XLogP3.13
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-methylpentan-3-yl)-1,2-oxazole?
The IUPAC name of 5-methyl-3-(2-methylpentan-3-yl)-1,2-oxazole (CID 166844258) is 5-methyl-3-(2-methylpentan-3-yl)-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-(2-methylpentan-3-yl)-1,2-oxazole?
The canonical SMILES for 5-methyl-3-(2-methylpentan-3-yl)-1,2-oxazole is CCC(c1cc(C)on1)C(C)C.
What is the InChIKey of 5-methyl-3-(2-methylpentan-3-yl)-1,2-oxazole?
The InChIKey is JZEOMBBWENOUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-5-9(7(2)3)10-6-8(4)12-11-10/h6-7,9H,5H2,1-4H3.
What are the key properties of 5-methyl-3-(2-methylpentan-3-yl)-1,2-oxazole?
5-methyl-3-(2-methylpentan-3-yl)-1,2-oxazole has a molecular weight of 167.25 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-methylpentan-3-yl)-1,2-oxazole is sourced from PubChem (CID 166844258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).