5-(2-aminopropan-2-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide

C8H14N4O2 — CID 102791094

IUPAC5-(2-aminopropan-2-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
SMILESCCNC(=O)c1noc(C(C)(C)N)n1
InChIInChI=1S/C8H14N4O2/c1-4-10-6(13)5-11-7(14-12-5)8(2,3)9/h4,9H2,1-3H3,(H,10,13)
InChIKeyRLWSCHSVTJHBMY-UHFFFAOYSA-N
MW198.23 g/mol
LogP0.01
Rot. Bonds3

About 5-(2-aminopropan-2-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide

5-(2-aminopropan-2-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102791094) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 5-(2-aminopropan-2-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-aminopropan-2-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID102791094
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name5-(2-aminopropan-2-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
SMILESCCNC(=O)c1noc(C(C)(C)N)n1
InChIInChI=1S/C8H14N4O2/c1-4-10-6(13)5-11-7(14-12-5)8(2,3)9/h4,9H2,1-3H3,(H,10,13)
InChIKeyRLWSCHSVTJHBMY-UHFFFAOYSA-N
XLogP0.01
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropan-2-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-(2-aminopropan-2-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide (CID 102791094) is 5-(2-aminopropan-2-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-(2-aminopropan-2-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-(2-aminopropan-2-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide is CCNC(=O)c1noc(C(C)(C)N)n1.
What is the InChIKey of 5-(2-aminopropan-2-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is RLWSCHSVTJHBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-4-10-6(13)5-11-7(14-12-5)8(2,3)9/h4,9H2,1-3H3,(H,10,13).
What are the key properties of 5-(2-aminopropan-2-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide?
5-(2-aminopropan-2-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 198.23 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropan-2-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102791094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).