1-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]azetidin-1-yl]prop-2-en-1-one

C11H15N3O3 — CID 126831922

IUPAC1-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]azetidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CC(OCc2nc(CC)no2)C1
InChIInChI=1S/C11H15N3O3/c1-3-9-12-10(17-13-9)7-16-8-5-14(6-8)11(15)4-2/h4,8H,2-3,5-7H2,1H3
InChIKeyQZBURQDKBNBQJY-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.55
Rot. Bonds5

About 1-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]azetidin-1-yl]prop-2-en-1-one

1-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]azetidin-1-yl]prop-2-en-1-one (PubChem CID 126831922) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]azetidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]azetidin-1-yl]prop-2-en-1-one
PubChem CID126831922
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name1-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]azetidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CC(OCc2nc(CC)no2)C1
InChIInChI=1S/C11H15N3O3/c1-3-9-12-10(17-13-9)7-16-8-5-14(6-8)11(15)4-2/h4,8H,2-3,5-7H2,1H3
InChIKeyQZBURQDKBNBQJY-UHFFFAOYSA-N
XLogP0.55
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

azetidin-1-yl-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]piperidin-1-yl]methanone
CID 166270081
1-[4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]propan-1-one
CID 163338329
2-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]oxyacetic acid
CID 63903585
1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-4-(2-methoxyethyl)piperidin-1-yl]prop-2-en-1-one
CID 166414360
3-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]-N-methylpiperidine-1-carboxamide
CID 110204028
N-(4-ethylphenyl)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxamide
CID 163339676
tert-butyl 3-ethyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]pyrrolidine-1-carboxylate
CID 103916132
1-[(2R)-2-[(2R)-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 129426788
methyl 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylate
CID 78920518
1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylic acid
CID 43440669
1-[(2R)-4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoyl]-2-methylpiperazin-1-yl]prop-2-en-1-one
CID 172889365
ethyl 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylate
CID 60718797

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]azetidin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]azetidin-1-yl]prop-2-en-1-one (CID 126831922) is 1-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]azetidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]azetidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]azetidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CC(OCc2nc(CC)no2)C1.
What is the InChIKey of 1-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]azetidin-1-yl]prop-2-en-1-one?
The InChIKey is QZBURQDKBNBQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-3-9-12-10(17-13-9)7-16-8-5-14(6-8)11(15)4-2/h4,8H,2-3,5-7H2,1H3.
What are the key properties of 1-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]azetidin-1-yl]prop-2-en-1-one?
1-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]azetidin-1-yl]prop-2-en-1-one has a molecular weight of 237.26 g/mol, XLogP of 0.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]azetidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 126831922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).