N-ethyl-1,2,4-oxadiazole-3-carboxamide

C5H7N3O2 — CID 91237923

IUPACN-ethyl-1,2,4-oxadiazole-3-carboxamide
SMILESCCNC(=O)c1ncon1
InChIInChI=1S/C5H7N3O2/c1-2-6-5(9)4-7-3-10-8-4/h3H,2H2,1H3,(H,6,9)
InChIKeyUTARTDLRSSSKEL-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.18
Rot. Bonds2

About N-ethyl-1,2,4-oxadiazole-3-carboxamide

N-ethyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 91237923) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is N-ethyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID91237923
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC NameN-ethyl-1,2,4-oxadiazole-3-carboxamide
SMILESCCNC(=O)c1ncon1
InChIInChI=1S/C5H7N3O2/c1-2-6-5(9)4-7-3-10-8-4/h3H,2H2,1H3,(H,6,9)
InChIKeyUTARTDLRSSSKEL-UHFFFAOYSA-N
XLogP-0.18
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-ethyl-1,2,4-oxadiazole-3-carboxamide (CID 91237923) is N-ethyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-ethyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-ethyl-1,2,4-oxadiazole-3-carboxamide is CCNC(=O)c1ncon1.
What is the InChIKey of N-ethyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is UTARTDLRSSSKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-2-6-5(9)4-7-3-10-8-4/h3H,2H2,1H3,(H,6,9).
What are the key properties of N-ethyl-1,2,4-oxadiazole-3-carboxamide?
N-ethyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 141.13 g/mol, XLogP of -0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 91237923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).