2-[(3-methyloxetan-3-yl)methyl]-1,2-oxazol-3-one

C8H11NO3 — CID 130890921

IUPAC2-[(3-methyloxetan-3-yl)methyl]-1,2-oxazol-3-one
SMILESCC1(Cn2occc2=O)COC1
InChIInChI=1S/C8H11NO3/c1-8(5-11-6-8)4-9-7(10)2-3-12-9/h2-3H,4-6H2,1H3
InChIKeyDGXYFHFCEQRJBZ-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.48
Rot. Bonds2

About 2-[(3-methyloxetan-3-yl)methyl]-1,2-oxazol-3-one

2-[(3-methyloxetan-3-yl)methyl]-1,2-oxazol-3-one (PubChem CID 130890921) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-[(3-methyloxetan-3-yl)methyl]-1,2-oxazol-3-one.

Molecular Properties

Compound Name2-[(3-methyloxetan-3-yl)methyl]-1,2-oxazol-3-one
PubChem CID130890921
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name2-[(3-methyloxetan-3-yl)methyl]-1,2-oxazol-3-one
SMILESCC1(Cn2occc2=O)COC1
InChIInChI=1S/C8H11NO3/c1-8(5-11-6-8)4-9-7(10)2-3-12-9/h2-3H,4-6H2,1H3
InChIKeyDGXYFHFCEQRJBZ-UHFFFAOYSA-N
XLogP0.48
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyloxetan-3-yl)methyl]-1,2-oxazol-3-one?
The IUPAC name of 2-[(3-methyloxetan-3-yl)methyl]-1,2-oxazol-3-one (CID 130890921) is 2-[(3-methyloxetan-3-yl)methyl]-1,2-oxazol-3-one.
What is the SMILES notation for 2-[(3-methyloxetan-3-yl)methyl]-1,2-oxazol-3-one?
The canonical SMILES for 2-[(3-methyloxetan-3-yl)methyl]-1,2-oxazol-3-one is CC1(Cn2occc2=O)COC1.
What is the InChIKey of 2-[(3-methyloxetan-3-yl)methyl]-1,2-oxazol-3-one?
The InChIKey is DGXYFHFCEQRJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-8(5-11-6-8)4-9-7(10)2-3-12-9/h2-3H,4-6H2,1H3.
What are the key properties of 2-[(3-methyloxetan-3-yl)methyl]-1,2-oxazol-3-one?
2-[(3-methyloxetan-3-yl)methyl]-1,2-oxazol-3-one has a molecular weight of 169.18 g/mol, XLogP of 0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyloxetan-3-yl)methyl]-1,2-oxazol-3-one is sourced from PubChem (CID 130890921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).