2-methyl-1-(3-propan-2-yloxy-1,2-oxazol-5-yl)propan-1-one

C10H15NO3 — CID 58210358

IUPAC2-methyl-1-(3-propan-2-yloxy-1,2-oxazol-5-yl)propan-1-one
SMILESCC(C)Oc1cc(C(=O)C(C)C)on1
InChIInChI=1S/C10H15NO3/c1-6(2)10(12)8-5-9(11-14-8)13-7(3)4/h5-7H,1-4H3
InChIKeyTWJVEGFKVLEXRK-UHFFFAOYSA-N
MW197.23 g/mol
LogP2.30
Rot. Bonds4

About 2-methyl-1-(3-propan-2-yloxy-1,2-oxazol-5-yl)propan-1-one

2-methyl-1-(3-propan-2-yloxy-1,2-oxazol-5-yl)propan-1-one (PubChem CID 58210358) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-methyl-1-(3-propan-2-yloxy-1,2-oxazol-5-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(3-propan-2-yloxy-1,2-oxazol-5-yl)propan-1-one
PubChem CID58210358
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name2-methyl-1-(3-propan-2-yloxy-1,2-oxazol-5-yl)propan-1-one
SMILESCC(C)Oc1cc(C(=O)C(C)C)on1
InChIInChI=1S/C10H15NO3/c1-6(2)10(12)8-5-9(11-14-8)13-7(3)4/h5-7H,1-4H3
InChIKeyTWJVEGFKVLEXRK-UHFFFAOYSA-N
XLogP2.30
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-propan-2-yloxy-1,2-oxazol-5-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(3-propan-2-yloxy-1,2-oxazol-5-yl)propan-1-one (CID 58210358) is 2-methyl-1-(3-propan-2-yloxy-1,2-oxazol-5-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(3-propan-2-yloxy-1,2-oxazol-5-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(3-propan-2-yloxy-1,2-oxazol-5-yl)propan-1-one is CC(C)Oc1cc(C(=O)C(C)C)on1.
What is the InChIKey of 2-methyl-1-(3-propan-2-yloxy-1,2-oxazol-5-yl)propan-1-one?
The InChIKey is TWJVEGFKVLEXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-6(2)10(12)8-5-9(11-14-8)13-7(3)4/h5-7H,1-4H3.
What are the key properties of 2-methyl-1-(3-propan-2-yloxy-1,2-oxazol-5-yl)propan-1-one?
2-methyl-1-(3-propan-2-yloxy-1,2-oxazol-5-yl)propan-1-one has a molecular weight of 197.23 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-propan-2-yloxy-1,2-oxazol-5-yl)propan-1-one is sourced from PubChem (CID 58210358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).