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

C9H15NO — CID 170118865

IUPAC2-(2-methylpentan-3-yl)-1,3-oxazole
SMILESCCC(c1ncco1)C(C)C
InChIInChI=1S/C9H15NO/c1-4-8(7(2)3)9-10-5-6-11-9/h5-8H,4H2,1-3H3
InChIKeyLWQLYBMYDJDEEH-UHFFFAOYSA-N
MW153.23 g/mol
LogP2.82
Rot. Bonds3

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

2-(2-methylpentan-3-yl)-1,3-oxazole (PubChem CID 170118865) has the molecular formula C9H15NO and a molecular weight of 153.23 g/mol. Its IUPAC name is 2-(2-methylpentan-3-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-(2-methylpentan-3-yl)-1,3-oxazole
PubChem CID170118865
Molecular FormulaC9H15NO
Molecular Weight153.23 g/mol
Exact Mass153.12
IUPAC Name2-(2-methylpentan-3-yl)-1,3-oxazole
SMILESCCC(c1ncco1)C(C)C
InChIInChI=1S/C9H15NO/c1-4-8(7(2)3)9-10-5-6-11-9/h5-8H,4H2,1-3H3
InChIKeyLWQLYBMYDJDEEH-UHFFFAOYSA-N
XLogP2.82
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpentan-3-yl)-1,3-oxazole?
The IUPAC name of 2-(2-methylpentan-3-yl)-1,3-oxazole (CID 170118865) is 2-(2-methylpentan-3-yl)-1,3-oxazole.
What is the SMILES notation for 2-(2-methylpentan-3-yl)-1,3-oxazole?
The canonical SMILES for 2-(2-methylpentan-3-yl)-1,3-oxazole is CCC(c1ncco1)C(C)C.
What is the InChIKey of 2-(2-methylpentan-3-yl)-1,3-oxazole?
The InChIKey is LWQLYBMYDJDEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-4-8(7(2)3)9-10-5-6-11-9/h5-8H,4H2,1-3H3.
What are the key properties of 2-(2-methylpentan-3-yl)-1,3-oxazole?
2-(2-methylpentan-3-yl)-1,3-oxazole has a molecular weight of 153.23 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpentan-3-yl)-1,3-oxazole is sourced from PubChem (CID 170118865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).