5-ethyl-N-prop-2-ynyl-1,2,4-oxadiazole-3-carboxamide

C8H9N3O2 — CID 130620375

IUPAC5-ethyl-N-prop-2-ynyl-1,2,4-oxadiazole-3-carboxamide
SMILESC#CCNC(=O)c1noc(CC)n1
InChIInChI=1S/C8H9N3O2/c1-3-5-9-8(12)7-10-6(4-2)13-11-7/h1H,4-5H2,2H3,(H,9,12)
InChIKeyLTHQOJORPJIZRR-UHFFFAOYSA-N
MW179.18 g/mol
LogP-0.00
Rot. Bonds3

About 5-ethyl-N-prop-2-ynyl-1,2,4-oxadiazole-3-carboxamide

5-ethyl-N-prop-2-ynyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 130620375) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 5-ethyl-N-prop-2-ynyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-prop-2-ynyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID130620375
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name5-ethyl-N-prop-2-ynyl-1,2,4-oxadiazole-3-carboxamide
SMILESC#CCNC(=O)c1noc(CC)n1
InChIInChI=1S/C8H9N3O2/c1-3-5-9-8(12)7-10-6(4-2)13-11-7/h1H,4-5H2,2H3,(H,9,12)
InChIKeyLTHQOJORPJIZRR-UHFFFAOYSA-N
XLogP-0.00
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-5-[(prop-2-ynylamino)methyl]-1,2,4-oxadiazole-3-carboxamide
CID 102790857
5-[(prop-2-ynylamino)methyl]-1,2,4-oxadiazole-3-carboxamide
CID 102790166
5-(3-cyano-2-methylpropyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 106527914
N-ethyl-5-[(2-methylpropylamino)methyl]-1,2,4-oxadiazole-3-carboxamide
CID 102791394
5-[2-(aminomethyl)butyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791278
5-[(1-aminocyclopentyl)methyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791146
5-ethyl-N-[(2-methyl-4-propoxyphenyl)methyl]-1,2,4-oxadiazole-3-carboxamide
CID 119045965
5-[2-(4-aminophenyl)ethyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791281
1-(4-chlorophenyl)-5-methyl-N-prop-2-ynyl-1,2,4-triazole-3-carboxamide
CID 24542740
5-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791111
N-ethyl-5-[[1-(methylamino)cyclohexyl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 102791360
5-ethyl-N'-hydroxy-1,2,4-oxadiazole-3-carboximidamide
CID 135489940

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-prop-2-ynyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-ethyl-N-prop-2-ynyl-1,2,4-oxadiazole-3-carboxamide (CID 130620375) is 5-ethyl-N-prop-2-ynyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-prop-2-ynyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-ethyl-N-prop-2-ynyl-1,2,4-oxadiazole-3-carboxamide is C#CCNC(=O)c1noc(CC)n1.
What is the InChIKey of 5-ethyl-N-prop-2-ynyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is LTHQOJORPJIZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c1-3-5-9-8(12)7-10-6(4-2)13-11-7/h1H,4-5H2,2H3,(H,9,12).
What are the key properties of 5-ethyl-N-prop-2-ynyl-1,2,4-oxadiazole-3-carboxamide?
5-ethyl-N-prop-2-ynyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 179.18 g/mol, XLogP of -0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-prop-2-ynyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 130620375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).