5-methoxy-2-methyl-4-(2-methylpropyl)-1,3-oxazole

C9H15NO2 — CID 23271455

IUPAC5-methoxy-2-methyl-4-(2-methylpropyl)-1,3-oxazole
SMILESCOc1oc(C)nc1CC(C)C
InChIInChI=1S/C9H15NO2/c1-6(2)5-8-9(11-4)12-7(3)10-8/h6H,5H2,1-4H3
InChIKeyCNDIMVWETXUPNO-UHFFFAOYSA-N
MW169.22 g/mol
LogP2.19
Rot. Bonds3

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

5-methoxy-2-methyl-4-(2-methylpropyl)-1,3-oxazole (PubChem CID 23271455) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 5-methoxy-2-methyl-4-(2-methylpropyl)-1,3-oxazole.

Molecular Properties

Compound Name5-methoxy-2-methyl-4-(2-methylpropyl)-1,3-oxazole
PubChem CID23271455
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name5-methoxy-2-methyl-4-(2-methylpropyl)-1,3-oxazole
SMILESCOc1oc(C)nc1CC(C)C
InChIInChI=1S/C9H15NO2/c1-6(2)5-8-9(11-4)12-7(3)10-8/h6H,5H2,1-4H3
InChIKeyCNDIMVWETXUPNO-UHFFFAOYSA-N
XLogP2.19
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-4-(2-methylpropyl)-1,3-oxazole?
The IUPAC name of 5-methoxy-2-methyl-4-(2-methylpropyl)-1,3-oxazole (CID 23271455) is 5-methoxy-2-methyl-4-(2-methylpropyl)-1,3-oxazole.
What is the SMILES notation for 5-methoxy-2-methyl-4-(2-methylpropyl)-1,3-oxazole?
The canonical SMILES for 5-methoxy-2-methyl-4-(2-methylpropyl)-1,3-oxazole is COc1oc(C)nc1CC(C)C.
What is the InChIKey of 5-methoxy-2-methyl-4-(2-methylpropyl)-1,3-oxazole?
The InChIKey is CNDIMVWETXUPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-6(2)5-8-9(11-4)12-7(3)10-8/h6H,5H2,1-4H3.
What are the key properties of 5-methoxy-2-methyl-4-(2-methylpropyl)-1,3-oxazole?
5-methoxy-2-methyl-4-(2-methylpropyl)-1,3-oxazole has a molecular weight of 169.22 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-4-(2-methylpropyl)-1,3-oxazole is sourced from PubChem (CID 23271455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).