4-amino-N-(1-hydroxy-4-methylpentan-2-yl)-1,2,5-oxadiazole-3-carboxamide

C9H16N4O3 — CID 62686736

IUPAC4-amino-N-(1-hydroxy-4-methylpentan-2-yl)-1,2,5-oxadiazole-3-carboxamide
SMILESCC(C)CC(CO)NC(=O)c1nonc1N
InChIInChI=1S/C9H16N4O3/c1-5(2)3-6(4-14)11-9(15)7-8(10)13-16-12-7/h5-6,14H,3-4H2,1-2H3,(H2,10,13)(H,11,15)
InChIKeyXBYHDJNHWTWIML-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.21
Rot. Bonds5

About 4-amino-N-(1-hydroxy-4-methylpentan-2-yl)-1,2,5-oxadiazole-3-carboxamide

4-amino-N-(1-hydroxy-4-methylpentan-2-yl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 62686736) has the molecular formula C9H16N4O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 4-amino-N-(1-hydroxy-4-methylpentan-2-yl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-hydroxy-4-methylpentan-2-yl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID62686736
Molecular FormulaC9H16N4O3
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC Name4-amino-N-(1-hydroxy-4-methylpentan-2-yl)-1,2,5-oxadiazole-3-carboxamide
SMILESCC(C)CC(CO)NC(=O)c1nonc1N
InChIInChI=1S/C9H16N4O3/c1-5(2)3-6(4-14)11-9(15)7-8(10)13-16-12-7/h5-6,14H,3-4H2,1-2H3,(H2,10,13)(H,11,15)
InChIKeyXBYHDJNHWTWIML-UHFFFAOYSA-N
XLogP-0.21
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 ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-hydroxy-4-methylpentan-2-yl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-(1-hydroxy-4-methylpentan-2-yl)-1,2,5-oxadiazole-3-carboxamide (CID 62686736) is 4-amino-N-(1-hydroxy-4-methylpentan-2-yl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(1-hydroxy-4-methylpentan-2-yl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(1-hydroxy-4-methylpentan-2-yl)-1,2,5-oxadiazole-3-carboxamide is CC(C)CC(CO)NC(=O)c1nonc1N.
What is the InChIKey of 4-amino-N-(1-hydroxy-4-methylpentan-2-yl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is XBYHDJNHWTWIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3/c1-5(2)3-6(4-14)11-9(15)7-8(10)13-16-12-7/h5-6,14H,3-4H2,1-2H3,(H2,10,13)(H,11,15).
What are the key properties of 4-amino-N-(1-hydroxy-4-methylpentan-2-yl)-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-(1-hydroxy-4-methylpentan-2-yl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 228.25 g/mol, XLogP of -0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-hydroxy-4-methylpentan-2-yl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 62686736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).