(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)-(3-methoxyazetidin-1-yl)methanone

C12H16N2O3 — CID 127859230

IUPAC(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)-(3-methoxyazetidin-1-yl)methanone
SMILESCOC1CN(C(=O)c2oc(C3CC3)nc2C)C1
InChIInChI=1S/C12H16N2O3/c1-7-10(17-11(13-7)8-3-4-8)12(15)14-5-9(6-14)16-2/h8-9H,3-6H2,1-2H3
InChIKeyCDKBIQRZRNYGNL-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.33
Rot. Bonds3

About (2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)-(3-methoxyazetidin-1-yl)methanone

(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)-(3-methoxyazetidin-1-yl)methanone (PubChem CID 127859230) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is (2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)-(3-methoxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)-(3-methoxyazetidin-1-yl)methanone
PubChem CID127859230
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)-(3-methoxyazetidin-1-yl)methanone
SMILESCOC1CN(C(=O)c2oc(C3CC3)nc2C)C1
InChIInChI=1S/C12H16N2O3/c1-7-10(17-11(13-7)8-3-4-8)12(15)14-5-9(6-14)16-2/h8-9H,3-6H2,1-2H3
InChIKeyCDKBIQRZRNYGNL-UHFFFAOYSA-N
XLogP1.33
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)-(3-methoxyazetidin-1-yl)methanone?
The IUPAC name of (2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)-(3-methoxyazetidin-1-yl)methanone (CID 127859230) is (2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)-(3-methoxyazetidin-1-yl)methanone.
What is the SMILES notation for (2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)-(3-methoxyazetidin-1-yl)methanone?
The canonical SMILES for (2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)-(3-methoxyazetidin-1-yl)methanone is COC1CN(C(=O)c2oc(C3CC3)nc2C)C1.
What is the InChIKey of (2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)-(3-methoxyazetidin-1-yl)methanone?
The InChIKey is CDKBIQRZRNYGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-7-10(17-11(13-7)8-3-4-8)12(15)14-5-9(6-14)16-2/h8-9H,3-6H2,1-2H3.
What are the key properties of (2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)-(3-methoxyazetidin-1-yl)methanone?
(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)-(3-methoxyazetidin-1-yl)methanone has a molecular weight of 236.27 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)-(3-methoxyazetidin-1-yl)methanone is sourced from PubChem (CID 127859230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).