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

C9H15NO — CID 24975194

IUPAC2,5-dimethyl-4-(2-methylpropyl)-1,3-oxazole
SMILESCc1nc(CC(C)C)c(C)o1
InChIInChI=1S/C9H15NO/c1-6(2)5-9-7(3)11-8(4)10-9/h6H,5H2,1-4H3
InChIKeyCRHIVGNUDCQNJY-UHFFFAOYSA-N
MW153.22 g/mol
LogP2.49
Rot. Bonds2

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

2,5-dimethyl-4-(2-methylpropyl)-1,3-oxazole (PubChem CID 24975194) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2,5-dimethyl-4-(2-methylpropyl)-1,3-oxazole.

Molecular Properties

Compound Name2,5-dimethyl-4-(2-methylpropyl)-1,3-oxazole
PubChem CID24975194
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2,5-dimethyl-4-(2-methylpropyl)-1,3-oxazole
SMILESCc1nc(CC(C)C)c(C)o1
InChIInChI=1S/C9H15NO/c1-6(2)5-9-7(3)11-8(4)10-9/h6H,5H2,1-4H3
InChIKeyCRHIVGNUDCQNJY-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 2,5-dimethyl-4-(2-methylpropyl)-1,3-oxazole?
The IUPAC name of 2,5-dimethyl-4-(2-methylpropyl)-1,3-oxazole (CID 24975194) is 2,5-dimethyl-4-(2-methylpropyl)-1,3-oxazole.
What is the SMILES notation for 2,5-dimethyl-4-(2-methylpropyl)-1,3-oxazole?
The canonical SMILES for 2,5-dimethyl-4-(2-methylpropyl)-1,3-oxazole is Cc1nc(CC(C)C)c(C)o1.
What is the InChIKey of 2,5-dimethyl-4-(2-methylpropyl)-1,3-oxazole?
The InChIKey is CRHIVGNUDCQNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-6(2)5-9-7(3)11-8(4)10-9/h6H,5H2,1-4H3.
What are the key properties of 2,5-dimethyl-4-(2-methylpropyl)-1,3-oxazole?
2,5-dimethyl-4-(2-methylpropyl)-1,3-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 2,5-dimethyl-4-(2-methylpropyl)-1,3-oxazole is sourced from PubChem (CID 24975194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).