2-(azetidin-3-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide

C9H14N4O2 — CID 106397080

IUPAC2-(azetidin-3-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
SMILESCC(C(=O)NCc1ncon1)C1CNC1
InChIInChI=1S/C9H14N4O2/c1-6(7-2-10-3-7)9(14)11-4-8-12-5-15-13-8/h5-7,10H,2-4H2,1H3,(H,11,14)
InChIKeyXPIIGITUTFSKIZ-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.46
Rot. Bonds4

About 2-(azetidin-3-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide

2-(azetidin-3-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide (PubChem CID 106397080) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
PubChem CID106397080
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name2-(azetidin-3-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
SMILESCC(C(=O)NCc1ncon1)C1CNC1
InChIInChI=1S/C9H14N4O2/c1-6(7-2-10-3-7)9(14)11-4-8-12-5-15-13-8/h5-7,10H,2-4H2,1H3,(H,11,14)
InChIKeyXPIIGITUTFSKIZ-UHFFFAOYSA-N
XLogP-0.46
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide (CID 106397080) is 2-(azetidin-3-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide is CC(C(=O)NCc1ncon1)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
The InChIKey is XPIIGITUTFSKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-6(7-2-10-3-7)9(14)11-4-8-12-5-15-13-8/h5-7,10H,2-4H2,1H3,(H,11,14).
What are the key properties of 2-(azetidin-3-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
2-(azetidin-3-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide has a molecular weight of 210.24 g/mol, XLogP of -0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide is sourced from PubChem (CID 106397080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).