5-(azetidin-3-yl)-1,2,4-oxadiazole-3-carboxamide

C6H8N4O2 — CID 102790119

IUPAC5-(azetidin-3-yl)-1,2,4-oxadiazole-3-carboxamide
SMILESNC(=O)c1noc(C2CNC2)n1
InChIInChI=1S/C6H8N4O2/c7-4(11)5-9-6(12-10-5)3-1-8-2-3/h3,8H,1-2H2,(H2,7,11)
InChIKeyFCRGJSXBUZUHKJ-UHFFFAOYSA-N
MW168.16 g/mol
LogP-1.14
Rot. Bonds2

About 5-(azetidin-3-yl)-1,2,4-oxadiazole-3-carboxamide

5-(azetidin-3-yl)-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102790119) has the molecular formula C6H8N4O2 and a molecular weight of 168.16 g/mol. Its IUPAC name is 5-(azetidin-3-yl)-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-(azetidin-3-yl)-1,2,4-oxadiazole-3-carboxamide
PubChem CID102790119
Molecular FormulaC6H8N4O2
Molecular Weight168.16 g/mol
Exact Mass168.06
IUPAC Name5-(azetidin-3-yl)-1,2,4-oxadiazole-3-carboxamide
SMILESNC(=O)c1noc(C2CNC2)n1
InChIInChI=1S/C6H8N4O2/c7-4(11)5-9-6(12-10-5)3-1-8-2-3/h3,8H,1-2H2,(H2,7,11)
InChIKeyFCRGJSXBUZUHKJ-UHFFFAOYSA-N
XLogP-1.14
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-azabicyclo[2.1.1]hexan-5-yl)-1,2,4-oxadiazole-3-carboxamide
CID 130820084
5-piperidin-3-yl-1,2,4-oxadiazole-3-carboxylic acid
CID 112631757
5-(azetidin-3-yl)-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride
CID 71778975
5-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,2,4-oxadiazole-3-carboxamide
CID 102790405
N,N-dicyclohexyl-5-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 70678400
5-(azetidin-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine;hydrochloride
CID 146049926
5-cyclopropyl-N-(methylaminomethyl)-1,2,4-oxadiazole-3-carboxamide
CID 146826444
5-(azetidin-3-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
CID 79316238
5-[(2S)-1-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129339448
ethyl 5-cyclopentyl-1,2,4-oxadiazole-3-carboxylate
CID 63379547
5-(1,1-dioxothian-4-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 115045802
5-(oxolan-3-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 63382908

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yl)-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-(azetidin-3-yl)-1,2,4-oxadiazole-3-carboxamide (CID 102790119) is 5-(azetidin-3-yl)-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-(azetidin-3-yl)-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-(azetidin-3-yl)-1,2,4-oxadiazole-3-carboxamide is NC(=O)c1noc(C2CNC2)n1.
What is the InChIKey of 5-(azetidin-3-yl)-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is FCRGJSXBUZUHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O2/c7-4(11)5-9-6(12-10-5)3-1-8-2-3/h3,8H,1-2H2,(H2,7,11).
What are the key properties of 5-(azetidin-3-yl)-1,2,4-oxadiazole-3-carboxamide?
5-(azetidin-3-yl)-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 168.16 g/mol, XLogP of -1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yl)-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102790119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).