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

C9H16N4O2 — CID 65191352

IUPACN-(1-amino-3-methylbutan-2-yl)-5-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCc1nc(C(=O)NC(CN)C(C)C)no1
InChIInChI=1S/C9H16N4O2/c1-5(2)7(4-10)12-9(14)8-11-6(3)15-13-8/h5,7H,4,10H2,1-3H3,(H,12,14)
InChIKeyMINGHOWWRZXILD-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.09
Rot. Bonds4

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

N-(1-amino-3-methylbutan-2-yl)-5-methyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 65191352) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is N-(1-amino-3-methylbutan-2-yl)-5-methyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-3-methylbutan-2-yl)-5-methyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID65191352
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC NameN-(1-amino-3-methylbutan-2-yl)-5-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCc1nc(C(=O)NC(CN)C(C)C)no1
InChIInChI=1S/C9H16N4O2/c1-5(2)7(4-10)12-9(14)8-11-6(3)15-13-8/h5,7H,4,10H2,1-3H3,(H,12,14)
InChIKeyMINGHOWWRZXILD-UHFFFAOYSA-N
XLogP0.09
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methylbutan-2-yl)-5-methyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-(1-amino-3-methylbutan-2-yl)-5-methyl-1,2,4-oxadiazole-3-carboxamide (CID 65191352) is N-(1-amino-3-methylbutan-2-yl)-5-methyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-(1-amino-3-methylbutan-2-yl)-5-methyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-(1-amino-3-methylbutan-2-yl)-5-methyl-1,2,4-oxadiazole-3-carboxamide is Cc1nc(C(=O)NC(CN)C(C)C)no1.
What is the InChIKey of N-(1-amino-3-methylbutan-2-yl)-5-methyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is MINGHOWWRZXILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-5(2)7(4-10)12-9(14)8-11-6(3)15-13-8/h5,7H,4,10H2,1-3H3,(H,12,14).
What are the key properties of N-(1-amino-3-methylbutan-2-yl)-5-methyl-1,2,4-oxadiazole-3-carboxamide?
N-(1-amino-3-methylbutan-2-yl)-5-methyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 212.25 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methylbutan-2-yl)-5-methyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 65191352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).