2-(azetidin-3-ylidene)-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C10H13N3O2 — CID 116674279

IUPAC2-(azetidin-3-ylidene)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCC(C(=O)Nc1cc(C)on1)=C1CNC1
InChIInChI=1S/C10H13N3O2/c1-6-3-9(13-15-6)12-10(14)7(2)8-4-11-5-8/h3,11H,4-5H2,1-2H3,(H,12,13,14)
InChIKeyOPLOYHQYBDERES-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.84
Rot. Bonds2

About 2-(azetidin-3-ylidene)-N-(5-methyl-1,2-oxazol-3-yl)propanamide

2-(azetidin-3-ylidene)-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 116674279) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID116674279
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name2-(azetidin-3-ylidene)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCC(C(=O)Nc1cc(C)on1)=C1CNC1
InChIInChI=1S/C10H13N3O2/c1-6-3-9(13-15-6)12-10(14)7(2)8-4-11-5-8/h3,11H,4-5H2,1-2H3,(H,12,13,14)
InChIKeyOPLOYHQYBDERES-UHFFFAOYSA-N
XLogP0.84
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 44996069
3-[(5-methyl-1,2-oxazol-3-yl)amino]-2,3-dioxopropanoic acid
CID 130735467
N-cyclopentyl-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 44996024
N-(2-hydroxyphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 108514273
3-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-3-carboxamide
CID 63141092
(1S,2S,3R,4S)-3-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
CID 18557878
2-(4-acetylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51242524
N-(5-methyl-1,2-oxazol-3-yl)-2-morpholin-4-yl-2-sulfanylideneacetamide
CID 91902538
N'-butan-2-yl-N-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 44996041
N'-(5-methyl-1,2-oxazol-3-yl)-N-(3-methylphenyl)oxamide
CID 44996030
1-(5-methyl-1,2-oxazol-3-yl)-3-(2-methylprop-1-enyl)urea
CID 108909931
(1S,2S,3S,4S)-3-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylate
CID 18557879

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 116674279) is 2-(azetidin-3-ylidene)-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(5-methyl-1,2-oxazol-3-yl)propanamide is CC(C(=O)Nc1cc(C)on1)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is OPLOYHQYBDERES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-6-3-9(13-15-6)12-10(14)7(2)8-4-11-5-8/h3,11H,4-5H2,1-2H3,(H,12,13,14).
What are the key properties of 2-(azetidin-3-ylidene)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
2-(azetidin-3-ylidene)-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 207.23 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 116674279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).