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

C10H18N4O2 — CID 102791174

IUPAC5-(1-amino-2,2-dimethylpropyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
SMILESCCNC(=O)c1noc(C(N)C(C)(C)C)n1
InChIInChI=1S/C10H18N4O2/c1-5-12-8(15)7-13-9(16-14-7)6(11)10(2,3)4/h6H,5,11H2,1-4H3,(H,12,15)
InChIKeyJDACROFWMFWUOO-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.87
Rot. Bonds3

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

5-(1-amino-2,2-dimethylpropyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102791174) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 5-(1-amino-2,2-dimethylpropyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-(1-amino-2,2-dimethylpropyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID102791174
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name5-(1-amino-2,2-dimethylpropyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
SMILESCCNC(=O)c1noc(C(N)C(C)(C)C)n1
InChIInChI=1S/C10H18N4O2/c1-5-12-8(15)7-13-9(16-14-7)6(11)10(2,3)4/h6H,5,11H2,1-4H3,(H,12,15)
InChIKeyJDACROFWMFWUOO-UHFFFAOYSA-N
XLogP0.87
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-amino-3-methylbutan-2-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791100
5-[(1S)-1-amino-2,2-dimethylpropyl]-1,2,4-oxadiazole-3-carboxamide
CID 102790212
5-(2-amino-1-hydroxyethyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791226
ethyl 5-[(1R)-1-amino-2,2-dimethylpropyl]-1,2,4-oxadiazole-3-carboxylate
CID 104899651
5-[(1S)-1-amino-2-phenylethyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791120
5-(2-aminopropan-2-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791094
5-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791374
(1R)-2,2-dimethyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 93258995
5-(1-amino-1-cyclopropylethyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791358
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-[(1R)-1-amino-2-methylpropyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 102790618

Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-2,2-dimethylpropyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-(1-amino-2,2-dimethylpropyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide (CID 102791174) is 5-(1-amino-2,2-dimethylpropyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-(1-amino-2,2-dimethylpropyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-(1-amino-2,2-dimethylpropyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide is CCNC(=O)c1noc(C(N)C(C)(C)C)n1.
What is the InChIKey of 5-(1-amino-2,2-dimethylpropyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is JDACROFWMFWUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-5-12-8(15)7-13-9(16-14-7)6(11)10(2,3)4/h6H,5,11H2,1-4H3,(H,12,15).
What are the key properties of 5-(1-amino-2,2-dimethylpropyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide?
5-(1-amino-2,2-dimethylpropyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 226.28 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-2,2-dimethylpropyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102791174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).