N-cyclobutyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide

C7H9N3O3 — CID 137243238

IUPACN-cyclobutyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(NC1CCC1)c1noc(=O)[nH]1
InChIInChI=1S/C7H9N3O3/c11-6(8-4-2-1-3-4)5-9-7(12)13-10-5/h4H,1-3H2,(H,8,11)(H,9,10,12)
InChIKeyMIEOORJFXVYFAC-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.35
Rot. Bonds2

About N-cyclobutyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide

N-cyclobutyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide (PubChem CID 137243238) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is N-cyclobutyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
PubChem CID137243238
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC NameN-cyclobutyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(NC1CCC1)c1noc(=O)[nH]1
InChIInChI=1S/C7H9N3O3/c11-6(8-4-2-1-3-4)5-9-7(12)13-10-5/h4H,1-3H2,(H,8,11)(H,9,10,12)
InChIKeyMIEOORJFXVYFAC-UHFFFAOYSA-N
XLogP-0.35
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-cyclobutyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide (CID 137243238) is N-cyclobutyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-cyclobutyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-cyclobutyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide is O=C(NC1CCC1)c1noc(=O)[nH]1.
What is the InChIKey of N-cyclobutyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is MIEOORJFXVYFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c11-6(8-4-2-1-3-4)5-9-7(12)13-10-5/h4H,1-3H2,(H,8,11)(H,9,10,12).
What are the key properties of N-cyclobutyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide?
N-cyclobutyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 183.17 g/mol, XLogP of -0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 137243238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).