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

C9H16N4O3 — CID 65106854

IUPAC4-amino-N-(2-ethyl-2-hydroxybutyl)-1,2,5-oxadiazole-3-carboxamide
SMILESCCC(O)(CC)CNC(=O)c1nonc1N
InChIInChI=1S/C9H16N4O3/c1-3-9(15,4-2)5-11-8(14)6-7(10)13-16-12-6/h15H,3-5H2,1-2H3,(H2,10,13)(H,11,14)
InChIKeyOSONRXBZFUDRLQ-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.07
Rot. Bonds5

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

4-amino-N-(2-ethyl-2-hydroxybutyl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 65106854) has the molecular formula C9H16N4O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 4-amino-N-(2-ethyl-2-hydroxybutyl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-ethyl-2-hydroxybutyl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID65106854
Molecular FormulaC9H16N4O3
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC Name4-amino-N-(2-ethyl-2-hydroxybutyl)-1,2,5-oxadiazole-3-carboxamide
SMILESCCC(O)(CC)CNC(=O)c1nonc1N
InChIInChI=1S/C9H16N4O3/c1-3-9(15,4-2)5-11-8(14)6-7(10)13-16-12-6/h15H,3-5H2,1-2H3,(H2,10,13)(H,11,14)
InChIKeyOSONRXBZFUDRLQ-UHFFFAOYSA-N
XLogP-0.07
TPSA114.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-ethyl-2-hydroxybutyl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-(2-ethyl-2-hydroxybutyl)-1,2,5-oxadiazole-3-carboxamide (CID 65106854) is 4-amino-N-(2-ethyl-2-hydroxybutyl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2-ethyl-2-hydroxybutyl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(2-ethyl-2-hydroxybutyl)-1,2,5-oxadiazole-3-carboxamide is CCC(O)(CC)CNC(=O)c1nonc1N.
What is the InChIKey of 4-amino-N-(2-ethyl-2-hydroxybutyl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is OSONRXBZFUDRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3/c1-3-9(15,4-2)5-11-8(14)6-7(10)13-16-12-6/h15H,3-5H2,1-2H3,(H2,10,13)(H,11,14).
What are the key properties of 4-amino-N-(2-ethyl-2-hydroxybutyl)-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-(2-ethyl-2-hydroxybutyl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 228.25 g/mol, XLogP of -0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-ethyl-2-hydroxybutyl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 65106854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).