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

C5H7N3O3 — CID 137232774

IUPACN-ethyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
SMILESCCNC(=O)c1noc(=O)[nH]1
InChIInChI=1S/C5H7N3O3/c1-2-6-4(9)3-7-5(10)11-8-3/h2H2,1H3,(H,6,9)(H,7,8,10)
InChIKeyHWUISKRUPZVOJR-UHFFFAOYSA-N
MW157.13 g/mol
LogP-0.89
Rot. Bonds2

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

N-ethyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide (PubChem CID 137232774) has the molecular formula C5H7N3O3 and a molecular weight of 157.13 g/mol. Its IUPAC name is N-ethyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
PubChem CID137232774
Molecular FormulaC5H7N3O3
Molecular Weight157.13 g/mol
Exact Mass157.05
IUPAC NameN-ethyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
SMILESCCNC(=O)c1noc(=O)[nH]1
InChIInChI=1S/C5H7N3O3/c1-2-6-4(9)3-7-5(10)11-8-3/h2H2,1H3,(H,6,9)(H,7,8,10)
InChIKeyHWUISKRUPZVOJR-UHFFFAOYSA-N
XLogP-0.89
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
CID 136209074
5-oxo-N-propan-2-yl-4H-1,2,4-oxadiazole-3-carboxamide
CID 137225636
N-ethyl-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide
CID 130685667
N-(cyanomethyl)-N-methyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
CID 137181245
N-methyl-5-oxo-N-prop-2-ynyl-4H-1,2,4-oxadiazole-3-carboxamide
CID 137191068
N-(2-cyanoethyl)-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
CID 137194850
N-[(1R)-1-cyanoethyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
CID 137211684
N-(1-cyanoethyl)-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
CID 137212797
N-ethyl-N-methyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
CID 137216584
N-[(1S)-1-cyanoethyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
CID 137223449
N-butan-2-yl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
CID 137243240

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-ethyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide (CID 137232774) is N-ethyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-ethyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-ethyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide is CCNC(=O)c1noc(=O)[nH]1.
What is the InChIKey of N-ethyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is HWUISKRUPZVOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O3/c1-2-6-4(9)3-7-5(10)11-8-3/h2H2,1H3,(H,6,9)(H,7,8,10).
What are the key properties of N-ethyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide?
N-ethyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 157.13 g/mol, XLogP of -0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 137232774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).