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

C9H15NO2 — CID 13024420

IUPAC1-(5-methyl-2-propyl-4H-1,3-oxazol-5-yl)ethanone
SMILESCCCC1=NCC(C)(C(C)=O)O1
InChIInChI=1S/C9H15NO2/c1-4-5-8-10-6-9(3,12-8)7(2)11/h4-6H2,1-3H3
InChIKeyPJUQTZQZQXIXOE-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.56
Rot. Bonds3

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

1-(5-methyl-2-propyl-4H-1,3-oxazol-5-yl)ethanone (PubChem CID 13024420) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-(5-methyl-2-propyl-4H-1,3-oxazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(5-methyl-2-propyl-4H-1,3-oxazol-5-yl)ethanone
PubChem CID13024420
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1-(5-methyl-2-propyl-4H-1,3-oxazol-5-yl)ethanone
SMILESCCCC1=NCC(C)(C(C)=O)O1
InChIInChI=1S/C9H15NO2/c1-4-5-8-10-6-9(3,12-8)7(2)11/h4-6H2,1-3H3
InChIKeyPJUQTZQZQXIXOE-UHFFFAOYSA-N
XLogP1.56
TPSA38.66 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 ≤ 51.56
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-propyl-4H-1,3-oxazol-5-yl)ethanone?
The IUPAC name of 1-(5-methyl-2-propyl-4H-1,3-oxazol-5-yl)ethanone (CID 13024420) is 1-(5-methyl-2-propyl-4H-1,3-oxazol-5-yl)ethanone.
What is the SMILES notation for 1-(5-methyl-2-propyl-4H-1,3-oxazol-5-yl)ethanone?
The canonical SMILES for 1-(5-methyl-2-propyl-4H-1,3-oxazol-5-yl)ethanone is CCCC1=NCC(C)(C(C)=O)O1.
What is the InChIKey of 1-(5-methyl-2-propyl-4H-1,3-oxazol-5-yl)ethanone?
The InChIKey is PJUQTZQZQXIXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-4-5-8-10-6-9(3,12-8)7(2)11/h4-6H2,1-3H3.
What are the key properties of 1-(5-methyl-2-propyl-4H-1,3-oxazol-5-yl)ethanone?
1-(5-methyl-2-propyl-4H-1,3-oxazol-5-yl)ethanone has a molecular weight of 169.22 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-propyl-4H-1,3-oxazol-5-yl)ethanone is sourced from PubChem (CID 13024420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).