N-(1,2,4-oxadiazol-3-ylmethyl)azetidine-3-carboxamide

C7H10N4O2 — CID 106397066

IUPACN-(1,2,4-oxadiazol-3-ylmethyl)azetidine-3-carboxamide
SMILESO=C(NCc1ncon1)C1CNC1
InChIInChI=1S/C7H10N4O2/c12-7(5-1-8-2-5)9-3-6-10-4-13-11-6/h4-5,8H,1-3H2,(H,9,12)
InChIKeyVYGBWWMHZVKKDB-UHFFFAOYSA-N
MW182.18 g/mol
LogP-1.09
Rot. Bonds3

About N-(1,2,4-oxadiazol-3-ylmethyl)azetidine-3-carboxamide

N-(1,2,4-oxadiazol-3-ylmethyl)azetidine-3-carboxamide (PubChem CID 106397066) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is N-(1,2,4-oxadiazol-3-ylmethyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,2,4-oxadiazol-3-ylmethyl)azetidine-3-carboxamide
PubChem CID106397066
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC NameN-(1,2,4-oxadiazol-3-ylmethyl)azetidine-3-carboxamide
SMILESO=C(NCc1ncon1)C1CNC1
InChIInChI=1S/C7H10N4O2/c12-7(5-1-8-2-5)9-3-6-10-4-13-11-6/h4-5,8H,1-3H2,(H,9,12)
InChIKeyVYGBWWMHZVKKDB-UHFFFAOYSA-N
XLogP-1.09
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)azetidine-3-carboxamide?
The IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)azetidine-3-carboxamide (CID 106397066) is N-(1,2,4-oxadiazol-3-ylmethyl)azetidine-3-carboxamide.
What is the SMILES notation for N-(1,2,4-oxadiazol-3-ylmethyl)azetidine-3-carboxamide?
The canonical SMILES for N-(1,2,4-oxadiazol-3-ylmethyl)azetidine-3-carboxamide is O=C(NCc1ncon1)C1CNC1.
What is the InChIKey of N-(1,2,4-oxadiazol-3-ylmethyl)azetidine-3-carboxamide?
The InChIKey is VYGBWWMHZVKKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c12-7(5-1-8-2-5)9-3-6-10-4-13-11-6/h4-5,8H,1-3H2,(H,9,12).
What are the key properties of N-(1,2,4-oxadiazol-3-ylmethyl)azetidine-3-carboxamide?
N-(1,2,4-oxadiazol-3-ylmethyl)azetidine-3-carboxamide has a molecular weight of 182.18 g/mol, XLogP of -1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-oxadiazol-3-ylmethyl)azetidine-3-carboxamide is sourced from PubChem (CID 106397066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).