5-[(1R)-1-amino-2-methylpropyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide

C8H14N4O2 — CID 102790618

IUPAC5-[(1R)-1-amino-2-methylpropyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1noc([C@H](N)C(C)C)n1
InChIInChI=1S/C8H14N4O2/c1-4(2)5(9)8-11-6(12-14-8)7(13)10-3/h4-5H,9H2,1-3H3,(H,10,13)/t5-/m1/s1
InChIKeyBJAXITMCPUFVLW-RXMQYKEDSA-N
MW198.23 g/mol
LogP0.09
Rot. Bonds3

About 5-[(1R)-1-amino-2-methylpropyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide

5-[(1R)-1-amino-2-methylpropyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102790618) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 5-[(1R)-1-amino-2-methylpropyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[(1R)-1-amino-2-methylpropyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID102790618
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name5-[(1R)-1-amino-2-methylpropyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1noc([C@H](N)C(C)C)n1
InChIInChI=1S/C8H14N4O2/c1-4(2)5(9)8-11-6(12-14-8)7(13)10-3/h4-5H,9H2,1-3H3,(H,10,13)/t5-/m1/s1
InChIKeyBJAXITMCPUFVLW-RXMQYKEDSA-N
XLogP0.09
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 ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(1R)-1-amino-2-methylpropyl]-1,2,4-oxadiazole-3-carboxamide
CID 102790267
5-[(1R)-1-amino-2-hydroxyethyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 102790526
5-(1-aminopentyl)-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 102790410
5-(1-amino-2,2-dimethylpropyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791174
5-(2-aminopentyl)-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 102790560
5-(1-amino-3-methylbutan-2-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791100
5-(2-amino-2-cyclopropylethyl)-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 102790561
5-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 102790745
ethyl 5-(1-amino-2-hydroxypropyl)-1,2,4-oxadiazole-3-carboxylate
CID 112631682
N-(1-methylcyclopropyl)-5-propan-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 166864775
5-[(1S)-1-amino-2,2-dimethylpropyl]-1,2,4-oxadiazole-3-carboxamide
CID 102790212
1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-2-methylpropan-1-amine
CID 63717020

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-amino-2-methylpropyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[(1R)-1-amino-2-methylpropyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide (CID 102790618) is 5-[(1R)-1-amino-2-methylpropyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[(1R)-1-amino-2-methylpropyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[(1R)-1-amino-2-methylpropyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide is CNC(=O)c1noc([C@H](N)C(C)C)n1.
What is the InChIKey of 5-[(1R)-1-amino-2-methylpropyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is BJAXITMCPUFVLW-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-4(2)5(9)8-11-6(12-14-8)7(13)10-3/h4-5H,9H2,1-3H3,(H,10,13)/t5-/m1/s1.
What are the key properties of 5-[(1R)-1-amino-2-methylpropyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
5-[(1R)-1-amino-2-methylpropyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 198.23 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-amino-2-methylpropyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102790618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).