(3-butan-2-yl-1,2-oxazol-5-yl)methyl acetate

C10H15NO3 — CID 22168442

IUPAC(3-butan-2-yl-1,2-oxazol-5-yl)methyl acetate
SMILESCCC(C)c1cc(COC(C)=O)on1
InChIInChI=1S/C10H15NO3/c1-4-7(2)10-5-9(14-11-10)6-13-8(3)12/h5,7H,4,6H2,1-3H3
InChIKeyGYIYRRFHDPWBNJ-UHFFFAOYSA-N
MW197.23 g/mol
LogP2.25
Rot. Bonds4

About (3-butan-2-yl-1,2-oxazol-5-yl)methyl acetate

(3-butan-2-yl-1,2-oxazol-5-yl)methyl acetate (PubChem CID 22168442) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is (3-butan-2-yl-1,2-oxazol-5-yl)methyl acetate.

Molecular Properties

Compound Name(3-butan-2-yl-1,2-oxazol-5-yl)methyl acetate
PubChem CID22168442
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name(3-butan-2-yl-1,2-oxazol-5-yl)methyl acetate
SMILESCCC(C)c1cc(COC(C)=O)on1
InChIInChI=1S/C10H15NO3/c1-4-7(2)10-5-9(14-11-10)6-13-8(3)12/h5,7H,4,6H2,1-3H3
InChIKeyGYIYRRFHDPWBNJ-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-butan-2-yl-1,2-oxazol-5-yl)methyl acetate?
The IUPAC name of (3-butan-2-yl-1,2-oxazol-5-yl)methyl acetate (CID 22168442) is (3-butan-2-yl-1,2-oxazol-5-yl)methyl acetate.
What is the SMILES notation for (3-butan-2-yl-1,2-oxazol-5-yl)methyl acetate?
The canonical SMILES for (3-butan-2-yl-1,2-oxazol-5-yl)methyl acetate is CCC(C)c1cc(COC(C)=O)on1.
What is the InChIKey of (3-butan-2-yl-1,2-oxazol-5-yl)methyl acetate?
The InChIKey is GYIYRRFHDPWBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-4-7(2)10-5-9(14-11-10)6-13-8(3)12/h5,7H,4,6H2,1-3H3.
What are the key properties of (3-butan-2-yl-1,2-oxazol-5-yl)methyl acetate?
(3-butan-2-yl-1,2-oxazol-5-yl)methyl acetate has a molecular weight of 197.23 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-butan-2-yl-1,2-oxazol-5-yl)methyl acetate is sourced from PubChem (CID 22168442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).