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

C10H18N4O2 — CID 102791100

IUPAC5-(1-amino-3-methylbutan-2-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
SMILESCCNC(=O)c1noc(C(CN)C(C)C)n1
InChIInChI=1S/C10H18N4O2/c1-4-12-9(15)8-13-10(16-14-8)7(5-11)6(2)3/h6-7H,4-5,11H2,1-3H3,(H,12,15)
InChIKeyKHEPYVPKZUDZIM-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.52
Rot. Bonds5

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

5-(1-amino-3-methylbutan-2-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102791100) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 5-(1-amino-3-methylbutan-2-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-(1-amino-3-methylbutan-2-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID102791100
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name5-(1-amino-3-methylbutan-2-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
SMILESCCNC(=O)c1noc(C(CN)C(C)C)n1
InChIInChI=1S/C10H18N4O2/c1-4-12-9(15)8-13-10(16-14-8)7(5-11)6(2)3/h6-7H,4-5,11H2,1-3H3,(H,12,15)
InChIKeyKHEPYVPKZUDZIM-UHFFFAOYSA-N
XLogP0.52
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-3-methylbutan-2-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-(1-amino-3-methylbutan-2-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide (CID 102791100) is 5-(1-amino-3-methylbutan-2-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-(1-amino-3-methylbutan-2-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-(1-amino-3-methylbutan-2-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide is CCNC(=O)c1noc(C(CN)C(C)C)n1.
What is the InChIKey of 5-(1-amino-3-methylbutan-2-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is KHEPYVPKZUDZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-4-12-9(15)8-13-10(16-14-8)7(5-11)6(2)3/h6-7H,4-5,11H2,1-3H3,(H,12,15).
What are the key properties of 5-(1-amino-3-methylbutan-2-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide?
5-(1-amino-3-methylbutan-2-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 226.28 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-3-methylbutan-2-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102791100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).