3,4-dimethyl-5-(2-methylpropyl)-1,2-oxazole

C9H15NO — CID 45099049

IUPAC3,4-dimethyl-5-(2-methylpropyl)-1,2-oxazole
SMILESCc1noc(CC(C)C)c1C
InChIInChI=1S/C9H15NO/c1-6(2)5-9-7(3)8(4)10-11-9/h6H,5H2,1-4H3
InChIKeyXESKNLNCOUOMTA-UHFFFAOYSA-N
MW153.22 g/mol
LogP2.49
Rot. Bonds2

About 3,4-dimethyl-5-(2-methylpropyl)-1,2-oxazole

3,4-dimethyl-5-(2-methylpropyl)-1,2-oxazole (PubChem CID 45099049) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 3,4-dimethyl-5-(2-methylpropyl)-1,2-oxazole.

Molecular Properties

Compound Name3,4-dimethyl-5-(2-methylpropyl)-1,2-oxazole
PubChem CID45099049
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name3,4-dimethyl-5-(2-methylpropyl)-1,2-oxazole
SMILESCc1noc(CC(C)C)c1C
InChIInChI=1S/C9H15NO/c1-6(2)5-9-7(3)8(4)10-11-9/h6H,5H2,1-4H3
InChIKeyXESKNLNCOUOMTA-UHFFFAOYSA-N
XLogP2.49
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-(2-methylpropyl)-1,2-oxazole?
The IUPAC name of 3,4-dimethyl-5-(2-methylpropyl)-1,2-oxazole (CID 45099049) is 3,4-dimethyl-5-(2-methylpropyl)-1,2-oxazole.
What is the SMILES notation for 3,4-dimethyl-5-(2-methylpropyl)-1,2-oxazole?
The canonical SMILES for 3,4-dimethyl-5-(2-methylpropyl)-1,2-oxazole is Cc1noc(CC(C)C)c1C.
What is the InChIKey of 3,4-dimethyl-5-(2-methylpropyl)-1,2-oxazole?
The InChIKey is XESKNLNCOUOMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-6(2)5-9-7(3)8(4)10-11-9/h6H,5H2,1-4H3.
What are the key properties of 3,4-dimethyl-5-(2-methylpropyl)-1,2-oxazole?
3,4-dimethyl-5-(2-methylpropyl)-1,2-oxazole has a molecular weight of 153.22 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-(2-methylpropyl)-1,2-oxazole is sourced from PubChem (CID 45099049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).