1-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)azetidin-2-one

C12H16N2O2 — CID 142624843

IUPAC1-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)azetidin-2-one
SMILESCC(C)c1noc(C2CC2)c1N1CCC1=O
InChIInChI=1S/C12H16N2O2/c1-7(2)10-11(14-6-5-9(14)15)12(16-13-10)8-3-4-8/h7-8H,3-6H2,1-2H3
InChIKeyPKQWTRGXBFQKNX-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.41
Rot. Bonds3

About 1-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)azetidin-2-one

1-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)azetidin-2-one (PubChem CID 142624843) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)azetidin-2-one.

Molecular Properties

Compound Name1-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)azetidin-2-one
PubChem CID142624843
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)azetidin-2-one
SMILESCC(C)c1noc(C2CC2)c1N1CCC1=O
InChIInChI=1S/C12H16N2O2/c1-7(2)10-11(14-6-5-9(14)15)12(16-13-10)8-3-4-8/h7-8H,3-6H2,1-2H3
InChIKeyPKQWTRGXBFQKNX-UHFFFAOYSA-N
XLogP2.41
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)azetidin-2-one?
The IUPAC name of 1-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)azetidin-2-one (CID 142624843) is 1-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)azetidin-2-one.
What is the SMILES notation for 1-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)azetidin-2-one?
The canonical SMILES for 1-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)azetidin-2-one is CC(C)c1noc(C2CC2)c1N1CCC1=O.
What is the InChIKey of 1-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)azetidin-2-one?
The InChIKey is PKQWTRGXBFQKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-7(2)10-11(14-6-5-9(14)15)12(16-13-10)8-3-4-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)azetidin-2-one?
1-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)azetidin-2-one has a molecular weight of 220.27 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)azetidin-2-one is sourced from PubChem (CID 142624843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).