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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-((3-methyl-1,2,4-oxadiazol-5-yl)methyl)isobutyramide
CID 49722140
N-((3-methyl-1,2,4-oxadiazol-5-yl)methyl)pivalamide
CID 49670656
2-amino-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 61266032
2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-en-1-amine
CID 62331516
2-(azetidin-3-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 64610377
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide
CID 65964936
1-acetyl-N-((3-methyl-1,2,4-oxadiazol-5-yl)methyl)azetidine-3-carboxamide
CID 71785489
2,3-Dimethyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-4-oxobut-2-enoic acid
CID 76993146
N-((3-Isopropyl-1,2,4-oxadiazol-5-yl)methyl)azetidine-3-carboxamide
CID 91927829
2-(azetidin-3-ylidene)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 106396753
2-(azetidin-3-ylidene)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
CID 106397123
2-(azetidin-3-ylidene)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 106416397

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).