2-(azetidin-3-ylidene)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propanamide

C10H14N4O2 — CID 116676815

IUPAC2-(azetidin-3-ylidene)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
SMILESCC(C(=O)NCc1nc(C)no1)=C1CNC1
InChIInChI=1S/C10H14N4O2/c1-6(8-3-11-4-8)10(15)12-5-9-13-7(2)14-16-9/h11H,3-5H2,1-2H3,(H,12,15)
InChIKeyCDTKDKMDCQAFLA-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.09
Rot. Bonds3

About 2-(azetidin-3-ylidene)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propanamide

2-(azetidin-3-ylidene)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propanamide (PubChem CID 116676815) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
PubChem CID116676815
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name2-(azetidin-3-ylidene)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
SMILESCC(C(=O)NCc1nc(C)no1)=C1CNC1
InChIInChI=1S/C10H14N4O2/c1-6(8-3-11-4-8)10(15)12-5-9-13-7(2)14-16-9/h11H,3-5H2,1-2H3,(H,12,15)
InChIKeyCDTKDKMDCQAFLA-UHFFFAOYSA-N
XLogP-0.09
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propanamide (CID 116676815) is 2-(azetidin-3-ylidene)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propanamide is CC(C(=O)NCc1nc(C)no1)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The InChIKey is CDTKDKMDCQAFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-6(8-3-11-4-8)10(15)12-5-9-13-7(2)14-16-9/h11H,3-5H2,1-2H3,(H,12,15).
What are the key properties of 2-(azetidin-3-ylidene)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
2-(azetidin-3-ylidene)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propanamide has a molecular weight of 222.25 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propanamide is sourced from PubChem (CID 116676815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).