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

C9H12N4O2 — CID 106397123

IUPAC2-(azetidin-3-ylidene)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
SMILESCC(C(=O)NCc1ncon1)=C1CNC1
InChIInChI=1S/C9H12N4O2/c1-6(7-2-10-3-7)9(14)11-4-8-12-5-15-13-8/h5,10H,2-4H2,1H3,(H,11,14)
InChIKeyFHVMCSQDDIRRCK-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.39
Rot. Bonds3

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

2-(azetidin-3-ylidene)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide (PubChem CID 106397123) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
PubChem CID106397123
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name2-(azetidin-3-ylidene)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
SMILESCC(C(=O)NCc1ncon1)=C1CNC1
InChIInChI=1S/C9H12N4O2/c1-6(7-2-10-3-7)9(14)11-4-8-12-5-15-13-8/h5,10H,2-4H2,1H3,(H,11,14)
InChIKeyFHVMCSQDDIRRCK-UHFFFAOYSA-N
XLogP-0.39
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.39
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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Related Compounds

2,3-Dimethyl-4-(1,2,4-oxadiazol-3-ylmethylamino)-4-oxobut-2-enoic acid
CID 106394626
2-(azetidin-3-ylidene)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 106396753
N-(1,2,4-oxadiazol-3-ylmethyl)azetidine-3-carboxamide
CID 106397066
2-(azetidin-3-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
CID 106397080
3-amino-2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
CID 106397110
2-(azetidin-3-ylidene)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 106397504
2-(azetidin-3-ylidene)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 106397894
2-(azetidin-3-ylidene)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 116676815

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide (CID 106397123) is 2-(azetidin-3-ylidene)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide is CC(C(=O)NCc1ncon1)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
The InChIKey is FHVMCSQDDIRRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-6(7-2-10-3-7)9(14)11-4-8-12-5-15-13-8/h5,10H,2-4H2,1H3,(H,11,14).
What are the key properties of 2-(azetidin-3-ylidene)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
2-(azetidin-3-ylidene)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide has a molecular weight of 208.22 g/mol, XLogP of -0.39, 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-(1,2,4-oxadiazol-3-ylmethyl)propanamide is sourced from PubChem (CID 106397123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).