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

C9H16N4O3 — CID 106292040

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

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

4-amino-N-(2-hydroxy-2-methylpentyl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 106292040) has the molecular formula C9H16N4O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxy-2-methylpentyl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-hydroxy-2-methylpentyl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID106292040
Molecular FormulaC9H16N4O3
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC Name4-amino-N-(2-hydroxy-2-methylpentyl)-1,2,5-oxadiazole-3-carboxamide
SMILESCCCC(C)(O)CNC(=O)c1nonc1N
InChIInChI=1S/C9H16N4O3/c1-3-4-9(2,15)5-11-8(14)6-7(10)13-16-12-6/h15H,3-5H2,1-2H3,(H2,10,13)(H,11,14)
InChIKeyYCGWCKHVUYGKIA-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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Related Compounds

4-amino-N-(2-ethoxy-2-methylpropyl)-1,2,5-oxadiazole-3-carboxamide
CID 114942314
4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-1,2,5-oxadiazole-3-carboxamide
CID 62687769
4-amino-N-propylsulfonyl-1,2,5-oxadiazole-3-carboxamide
CID 103307329
4-amino-N-(2-methyl-2-thiophen-2-ylpropyl)-1,2,5-oxadiazole-3-carboxamide
CID 80527456
4-amino-5-cyclopropyl-N-(2-hydroxy-2-methylpentyl)-1H-pyrazole-3-carboxamide
CID 106289355
4-amino-N-(2-butoxyethyl)-1,2,5-oxadiazole-3-carboxamide
CID 62688546
3-hydroxy-N-(2-hydroxy-2-methylpentyl)pyridine-2-carboxamide
CID 103725204
4-amino-N-(1,3-dihydroxypropan-2-yl)-1,2,5-oxadiazole-3-carboxamide
CID 65314664
3-amino-N-(2-hydroxy-2-methylpentyl)-4-methylbenzamide
CID 106289291
3-amino-2,6-difluoro-N-(2-hydroxy-2-methylpentyl)benzamide
CID 106289252
3-amino-4-bromo-N-(2-hydroxy-2-methylpentyl)benzamide
CID 106289346
3,4-dichloro-N-(2-hydroxy-2-methylpentyl)benzamide
CID 113240344

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-hydroxy-2-methylpentyl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-(2-hydroxy-2-methylpentyl)-1,2,5-oxadiazole-3-carboxamide (CID 106292040) is 4-amino-N-(2-hydroxy-2-methylpentyl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2-hydroxy-2-methylpentyl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(2-hydroxy-2-methylpentyl)-1,2,5-oxadiazole-3-carboxamide is CCCC(C)(O)CNC(=O)c1nonc1N.
What is the InChIKey of 4-amino-N-(2-hydroxy-2-methylpentyl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is YCGWCKHVUYGKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3/c1-3-4-9(2,15)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-hydroxy-2-methylpentyl)-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-(2-hydroxy-2-methylpentyl)-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-hydroxy-2-methylpentyl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 106292040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).