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

C11H16N4O2 — CID 106416397

IUPAC2-(azetidin-3-ylidene)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
SMILESCC(C(=O)NCCc1nc(C)no1)=C1CNC1
InChIInChI=1S/C11H16N4O2/c1-7(9-5-12-6-9)11(16)13-4-3-10-14-8(2)15-17-10/h12H,3-6H2,1-2H3,(H,13,16)
InChIKeyJJMQHWJSPRGWQV-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.04
Rot. Bonds4

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

2-(azetidin-3-ylidene)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide (PubChem CID 106416397) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
PubChem CID106416397
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name2-(azetidin-3-ylidene)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
SMILESCC(C(=O)NCCc1nc(C)no1)=C1CNC1
InChIInChI=1S/C11H16N4O2/c1-7(9-5-12-6-9)11(16)13-4-3-10-14-8(2)15-17-10/h12H,3-6H2,1-2H3,(H,13,16)
InChIKeyJJMQHWJSPRGWQV-UHFFFAOYSA-N
XLogP-0.04
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.04
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

5-(Azetidin-3-yl)-3-methyl-1,2,4-oxadiazole
CID 46737147
3-amino-N-(2-(3-isopropyl-1,2,4-oxadiazol-5-yl)ethyl)propanamide hydrochloride
CID 71829592
1-(3-(3-(2-Aminoethyl)-1,2,4-oxadiazol-5-yl)azetidin-1-yl)ethanone
CID 86261795
N-{2-[5-(Azetidin-3-YL)-1,2,4-oxadiazol-3-YL]ethyl}-N-methylcyclopropanecarboxamide
CID 124047399
1-Methyl-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 57636977
1-[2-(3-Ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-methylurea
CID 57636986
N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 58248062
2-(3-Methyl-1,2,4-oxadiazol-5-yl)ethylurea
CID 103639746
5-(Azetidin-3-yl)-3-(propan-2-yl)-1,2,4-oxadiazole
CID 49657860
2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-N-propylacetamide
CID 49745080
2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-N-prop-2-enylacetamide
CID 49745081
N-ethyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]acetamide
CID 49745091

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide (CID 106416397) is 2-(azetidin-3-ylidene)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide is CC(C(=O)NCCc1nc(C)no1)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The InChIKey is JJMQHWJSPRGWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-7(9-5-12-6-9)11(16)13-4-3-10-14-8(2)15-17-10/h12H,3-6H2,1-2H3,(H,13,16).
What are the key properties of 2-(azetidin-3-ylidene)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
2-(azetidin-3-ylidene)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide has a molecular weight of 236.27 g/mol, XLogP of -0.04, 4 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-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 106416397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).