4-methyl-1-(1,3-oxazol-2-yl)pentan-3-one

C9H13NO2 — CID 58439322

IUPAC4-methyl-1-(1,3-oxazol-2-yl)pentan-3-one
SMILESCC(C)C(=O)CCc1ncco1
InChIInChI=1S/C9H13NO2/c1-7(2)8(11)3-4-9-10-5-6-12-9/h5-7H,3-4H2,1-2H3
InChIKeyRHPUHNBMDCYNBA-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.83
Rot. Bonds4

About 4-methyl-1-(1,3-oxazol-2-yl)pentan-3-one

4-methyl-1-(1,3-oxazol-2-yl)pentan-3-one (PubChem CID 58439322) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-methyl-1-(1,3-oxazol-2-yl)pentan-3-one.

Molecular Properties

Compound Name4-methyl-1-(1,3-oxazol-2-yl)pentan-3-one
PubChem CID58439322
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name4-methyl-1-(1,3-oxazol-2-yl)pentan-3-one
SMILESCC(C)C(=O)CCc1ncco1
InChIInChI=1S/C9H13NO2/c1-7(2)8(11)3-4-9-10-5-6-12-9/h5-7H,3-4H2,1-2H3
InChIKeyRHPUHNBMDCYNBA-UHFFFAOYSA-N
XLogP1.83
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1,3-oxazol-2-yl)pentan-3-one?
The IUPAC name of 4-methyl-1-(1,3-oxazol-2-yl)pentan-3-one (CID 58439322) is 4-methyl-1-(1,3-oxazol-2-yl)pentan-3-one.
What is the SMILES notation for 4-methyl-1-(1,3-oxazol-2-yl)pentan-3-one?
The canonical SMILES for 4-methyl-1-(1,3-oxazol-2-yl)pentan-3-one is CC(C)C(=O)CCc1ncco1.
What is the InChIKey of 4-methyl-1-(1,3-oxazol-2-yl)pentan-3-one?
The InChIKey is RHPUHNBMDCYNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-7(2)8(11)3-4-9-10-5-6-12-9/h5-7H,3-4H2,1-2H3.
What are the key properties of 4-methyl-1-(1,3-oxazol-2-yl)pentan-3-one?
4-methyl-1-(1,3-oxazol-2-yl)pentan-3-one has a molecular weight of 167.21 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1,3-oxazol-2-yl)pentan-3-one is sourced from PubChem (CID 58439322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).