4-amino-N-(2-ethoxy-2-methylpropyl)-1,2,5-oxadiazole-3-carboxamide

C9H16N4O3 — CID 114942314

IUPAC4-amino-N-(2-ethoxy-2-methylpropyl)-1,2,5-oxadiazole-3-carboxamide
SMILESCCOC(C)(C)CNC(=O)c1nonc1N
InChIInChI=1S/C9H16N4O3/c1-4-15-9(2,3)5-11-8(14)6-7(10)13-16-12-6/h4-5H2,1-3H3,(H2,10,13)(H,11,14)
InChIKeyUFAUJJIDJPVAPR-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.20
Rot. Bonds5

About 4-amino-N-(2-ethoxy-2-methylpropyl)-1,2,5-oxadiazole-3-carboxamide

4-amino-N-(2-ethoxy-2-methylpropyl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 114942314) has the molecular formula C9H16N4O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 4-amino-N-(2-ethoxy-2-methylpropyl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-ethoxy-2-methylpropyl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID114942314
Molecular FormulaC9H16N4O3
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC Name4-amino-N-(2-ethoxy-2-methylpropyl)-1,2,5-oxadiazole-3-carboxamide
SMILESCCOC(C)(C)CNC(=O)c1nonc1N
InChIInChI=1S/C9H16N4O3/c1-4-15-9(2,3)5-11-8(14)6-7(10)13-16-12-6/h4-5H2,1-3H3,(H2,10,13)(H,11,14)
InChIKeyUFAUJJIDJPVAPR-UHFFFAOYSA-N
XLogP0.20
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(oxolan-2-ylmethyl)-1,2,5-oxadiazole-3-carboxamide
CID 551245
4-amino-N-isobutyl-1,2,5-oxadiazole-3-carboxamide
CID 4417218
4-(Morpholine-4-carbonyl)-1,2,5-oxadiazol-3-amine
CID 551072
4-Amino-N-(2-aminoethyl)-1,2,5-oxadiazole-3-carboxamide
CID 536746
N-[2-(Acetylamino)ethyl]-4-amino-1,2,5-oxadiazole-3-carboxamide
CID 537871
4-Amino-N-(2-methoxyethyl)-1,2,5-oxadiazole-3-carboxamide
CID 542503
4-amino-N-(3-morpholin-4-ylpropyl)-1,2,5-oxadiazole-3-carboxamide
CID 567684
4-amino-N-(2-hydroxyethyl)-1,2,5-oxadiazole-3-carboxamide
CID 2057128
4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 55260120
4-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxamide
CID 62686163
4-amino-N-[2-(2,2-difluoroethoxy)ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 105909947
4-amino-N-{2-[(2,2-dimethylpropanoyl)amino]ethyl}-1,2,5-oxadiazole-3-carboxamide
CID 3159048

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-ethoxy-2-methylpropyl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-(2-ethoxy-2-methylpropyl)-1,2,5-oxadiazole-3-carboxamide (CID 114942314) is 4-amino-N-(2-ethoxy-2-methylpropyl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2-ethoxy-2-methylpropyl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(2-ethoxy-2-methylpropyl)-1,2,5-oxadiazole-3-carboxamide is CCOC(C)(C)CNC(=O)c1nonc1N.
What is the InChIKey of 4-amino-N-(2-ethoxy-2-methylpropyl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is UFAUJJIDJPVAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3/c1-4-15-9(2,3)5-11-8(14)6-7(10)13-16-12-6/h4-5H2,1-3H3,(H2,10,13)(H,11,14).
What are the key properties of 4-amino-N-(2-ethoxy-2-methylpropyl)-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-(2-ethoxy-2-methylpropyl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 228.25 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-ethoxy-2-methylpropyl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 114942314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).