5-[2-(tert-butylamino)ethyl]-1,2,4-oxadiazole-3-carboxamide

C9H16N4O2 — CID 102790052

IUPAC5-[2-(tert-butylamino)ethyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCC(C)(C)NCCc1nc(C(N)=O)no1
InChIInChI=1S/C9H16N4O2/c1-9(2,3)11-5-4-6-12-8(7(10)14)13-15-6/h11H,4-5H2,1-3H3,(H2,10,14)
InChIKeyVIVJMCGAWJECES-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.10
Rot. Bonds4

About 5-[2-(tert-butylamino)ethyl]-1,2,4-oxadiazole-3-carboxamide

5-[2-(tert-butylamino)ethyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102790052) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 5-[2-(tert-butylamino)ethyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[2-(tert-butylamino)ethyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID102790052
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name5-[2-(tert-butylamino)ethyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCC(C)(C)NCCc1nc(C(N)=O)no1
InChIInChI=1S/C9H16N4O2/c1-9(2,3)11-5-4-6-12-8(7(10)14)13-15-6/h11H,4-5H2,1-3H3,(H2,10,14)
InChIKeyVIVJMCGAWJECES-UHFFFAOYSA-N
XLogP0.10
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 ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[2-(tert-butylamino)ethyl]-1,2,4-oxadiazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(methylaminomethyl)-1,2,4-oxadiazole-3-carboxamide
CID 102790320
5-(4-aminopentyl)-1,2,4-oxadiazole-3-carboxamide
CID 102790082
5-[(prop-2-ynylamino)methyl]-1,2,4-oxadiazole-3-carboxamide
CID 102790166
5-[2-(aminomethyl)butyl]-1,2,4-oxadiazole-3-carboxamide
CID 102790253
N-[2-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine
CID 65133677
2-methyl-N-[2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
CID 60837590
5-[(hexan-3-ylamino)methyl]-1,2,4-oxadiazole-3-carboxamide
CID 138623161
5-(anilinomethyl)-1,2,4-oxadiazole-3-carboxamide
CID 102790051
2-methyl-N-[2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 61385551
5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazole-3-carboxylic acid
CID 112631921
5-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide
CID 173118652
N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine
CID 60837895

Frequently Asked Questions

What is the IUPAC name of 5-[2-(tert-butylamino)ethyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[2-(tert-butylamino)ethyl]-1,2,4-oxadiazole-3-carboxamide (CID 102790052) is 5-[2-(tert-butylamino)ethyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[2-(tert-butylamino)ethyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[2-(tert-butylamino)ethyl]-1,2,4-oxadiazole-3-carboxamide is CC(C)(C)NCCc1nc(C(N)=O)no1.
What is the InChIKey of 5-[2-(tert-butylamino)ethyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is VIVJMCGAWJECES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-9(2,3)11-5-4-6-12-8(7(10)14)13-15-6/h11H,4-5H2,1-3H3,(H2,10,14).
What are the key properties of 5-[2-(tert-butylamino)ethyl]-1,2,4-oxadiazole-3-carboxamide?
5-[2-(tert-butylamino)ethyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 212.25 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(tert-butylamino)ethyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102790052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).