4-ethyl-5-methyl-2-propan-2-yl-1,3-oxazole

C9H15NO — CID 586689

IUPAC4-ethyl-5-methyl-2-propan-2-yl-1,3-oxazole
SMILESCCc1nc(C(C)C)oc1C
InChIInChI=1S/C9H15NO/c1-5-8-7(4)11-9(10-8)6(2)3/h6H,5H2,1-4H3
InChIKeySGEREWZCOUDFEM-UHFFFAOYSA-N
MW153.22 g/mol
LogP2.67
Rot. Bonds2

About 4-ethyl-5-methyl-2-propan-2-yl-1,3-oxazole

4-ethyl-5-methyl-2-propan-2-yl-1,3-oxazole (PubChem CID 586689) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 4-ethyl-5-methyl-2-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-ethyl-5-methyl-2-propan-2-yl-1,3-oxazole
PubChem CID586689
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name4-ethyl-5-methyl-2-propan-2-yl-1,3-oxazole
SMILESCCc1nc(C(C)C)oc1C
InChIInChI=1S/C9H15NO/c1-5-8-7(4)11-9(10-8)6(2)3/h6H,5H2,1-4H3
InChIKeySGEREWZCOUDFEM-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-2-propan-2-yl-1,3-oxazole?
The IUPAC name of 4-ethyl-5-methyl-2-propan-2-yl-1,3-oxazole (CID 586689) is 4-ethyl-5-methyl-2-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 4-ethyl-5-methyl-2-propan-2-yl-1,3-oxazole?
The canonical SMILES for 4-ethyl-5-methyl-2-propan-2-yl-1,3-oxazole is CCc1nc(C(C)C)oc1C.
What is the InChIKey of 4-ethyl-5-methyl-2-propan-2-yl-1,3-oxazole?
The InChIKey is SGEREWZCOUDFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-5-8-7(4)11-9(10-8)6(2)3/h6H,5H2,1-4H3.
What are the key properties of 4-ethyl-5-methyl-2-propan-2-yl-1,3-oxazole?
4-ethyl-5-methyl-2-propan-2-yl-1,3-oxazole has a molecular weight of 153.22 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-2-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 586689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).