N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]azetidine-3-carboxamide

C7H10N4O3 — CID 137238706

IUPACN-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]azetidine-3-carboxamide
SMILESO=C(NCc1noc(=O)[nH]1)C1CNC1
InChIInChI=1S/C7H10N4O3/c12-6(4-1-8-2-4)9-3-5-10-7(13)14-11-5/h4,8H,1-3H2,(H,9,12)(H,10,11,13)
InChIKeyQDFYJSSUPUSLFI-UHFFFAOYSA-N
MW198.18 g/mol
LogP-1.80
Rot. Bonds3

About N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]azetidine-3-carboxamide

N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]azetidine-3-carboxamide (PubChem CID 137238706) has the molecular formula C7H10N4O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]azetidine-3-carboxamide
PubChem CID137238706
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC NameN-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]azetidine-3-carboxamide
SMILESO=C(NCc1noc(=O)[nH]1)C1CNC1
InChIInChI=1S/C7H10N4O3/c12-6(4-1-8-2-4)9-3-5-10-7(13)14-11-5/h4,8H,1-3H2,(H,9,12)(H,10,11,13)
InChIKeyQDFYJSSUPUSLFI-UHFFFAOYSA-N
XLogP-1.80
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-1.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]azetidine-3-carboxamide?
The IUPAC name of N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]azetidine-3-carboxamide (CID 137238706) is N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]azetidine-3-carboxamide.
What is the SMILES notation for N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]azetidine-3-carboxamide?
The canonical SMILES for N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]azetidine-3-carboxamide is O=C(NCc1noc(=O)[nH]1)C1CNC1.
What is the InChIKey of N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]azetidine-3-carboxamide?
The InChIKey is QDFYJSSUPUSLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3/c12-6(4-1-8-2-4)9-3-5-10-7(13)14-11-5/h4,8H,1-3H2,(H,9,12)(H,10,11,13).
What are the key properties of N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]azetidine-3-carboxamide?
N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]azetidine-3-carboxamide has a molecular weight of 198.18 g/mol, XLogP of -1.80, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]azetidine-3-carboxamide is sourced from PubChem (CID 137238706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).