1-(5-methyl-2-propan-2-yl-4H-1,3-oxazol-5-yl)ethanone

C9H15NO2 — CID 12617549

IUPAC1-(5-methyl-2-propan-2-yl-4H-1,3-oxazol-5-yl)ethanone
SMILESCC(=O)C1(C)CN=C(C(C)C)O1
InChIInChI=1S/C9H15NO2/c1-6(2)8-10-5-9(4,12-8)7(3)11/h6H,5H2,1-4H3
InChIKeyUIWJUKUDAIBDOX-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.42
Rot. Bonds2

About 1-(5-methyl-2-propan-2-yl-4H-1,3-oxazol-5-yl)ethanone

1-(5-methyl-2-propan-2-yl-4H-1,3-oxazol-5-yl)ethanone (PubChem CID 12617549) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-(5-methyl-2-propan-2-yl-4H-1,3-oxazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(5-methyl-2-propan-2-yl-4H-1,3-oxazol-5-yl)ethanone
PubChem CID12617549
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1-(5-methyl-2-propan-2-yl-4H-1,3-oxazol-5-yl)ethanone
SMILESCC(=O)C1(C)CN=C(C(C)C)O1
InChIInChI=1S/C9H15NO2/c1-6(2)8-10-5-9(4,12-8)7(3)11/h6H,5H2,1-4H3
InChIKeyUIWJUKUDAIBDOX-UHFFFAOYSA-N
XLogP1.42
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-propan-2-yl-4H-1,3-oxazol-5-yl)ethanone?
The IUPAC name of 1-(5-methyl-2-propan-2-yl-4H-1,3-oxazol-5-yl)ethanone (CID 12617549) is 1-(5-methyl-2-propan-2-yl-4H-1,3-oxazol-5-yl)ethanone.
What is the SMILES notation for 1-(5-methyl-2-propan-2-yl-4H-1,3-oxazol-5-yl)ethanone?
The canonical SMILES for 1-(5-methyl-2-propan-2-yl-4H-1,3-oxazol-5-yl)ethanone is CC(=O)C1(C)CN=C(C(C)C)O1.
What is the InChIKey of 1-(5-methyl-2-propan-2-yl-4H-1,3-oxazol-5-yl)ethanone?
The InChIKey is UIWJUKUDAIBDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-6(2)8-10-5-9(4,12-8)7(3)11/h6H,5H2,1-4H3.
What are the key properties of 1-(5-methyl-2-propan-2-yl-4H-1,3-oxazol-5-yl)ethanone?
1-(5-methyl-2-propan-2-yl-4H-1,3-oxazol-5-yl)ethanone has a molecular weight of 169.22 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-propan-2-yl-4H-1,3-oxazol-5-yl)ethanone is sourced from PubChem (CID 12617549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).