3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyethyl)azetidine-1-carboxamide

C12H18N4O3 — CID 56764499

IUPAC3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyethyl)azetidine-1-carboxamide
SMILESCOCCNC(=O)N1CC(c2nc(C3CC3)no2)C1
InChIInChI=1S/C12H18N4O3/c1-18-5-4-13-12(17)16-6-9(7-16)11-14-10(15-19-11)8-2-3-8/h8-9H,2-7H2,1H3,(H,13,17)
InChIKeyBQZPEEDGROJPMA-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.70
Rot. Bonds5

About 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyethyl)azetidine-1-carboxamide

3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyethyl)azetidine-1-carboxamide (PubChem CID 56764499) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyethyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyethyl)azetidine-1-carboxamide
PubChem CID56764499
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyethyl)azetidine-1-carboxamide
SMILESCOCCNC(=O)N1CC(c2nc(C3CC3)no2)C1
InChIInChI=1S/C12H18N4O3/c1-18-5-4-13-12(17)16-6-9(7-16)11-14-10(15-19-11)8-2-3-8/h8-9H,2-7H2,1H3,(H,13,17)
InChIKeyBQZPEEDGROJPMA-UHFFFAOYSA-N
XLogP0.70
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyethyl)azetidine-1-carboxamide?
The IUPAC name of 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyethyl)azetidine-1-carboxamide (CID 56764499) is 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyethyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyethyl)azetidine-1-carboxamide?
The canonical SMILES for 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyethyl)azetidine-1-carboxamide is COCCNC(=O)N1CC(c2nc(C3CC3)no2)C1.
What is the InChIKey of 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyethyl)azetidine-1-carboxamide?
The InChIKey is BQZPEEDGROJPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-18-5-4-13-12(17)16-6-9(7-16)11-14-10(15-19-11)8-2-3-8/h8-9H,2-7H2,1H3,(H,13,17).
What are the key properties of 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyethyl)azetidine-1-carboxamide?
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyethyl)azetidine-1-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyethyl)azetidine-1-carboxamide is sourced from PubChem (CID 56764499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).