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

C9H16N4O3 — CID 62688546

IUPAC4-amino-N-(2-butoxyethyl)-1,2,5-oxadiazole-3-carboxamide
SMILESCCCCOCCNC(=O)c1nonc1N
InChIInChI=1S/C9H16N4O3/c1-2-3-5-15-6-4-11-9(14)7-8(10)13-16-12-7/h2-6H2,1H3,(H2,10,13)(H,11,14)
InChIKeyHAVWFBICXZDDHX-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.20
Rot. Bonds7

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

4-amino-N-(2-butoxyethyl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 62688546) has the molecular formula C9H16N4O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 4-amino-N-(2-butoxyethyl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-butoxyethyl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID62688546
Molecular FormulaC9H16N4O3
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC Name4-amino-N-(2-butoxyethyl)-1,2,5-oxadiazole-3-carboxamide
SMILESCCCCOCCNC(=O)c1nonc1N
InChIInChI=1S/C9H16N4O3/c1-2-3-5-15-6-4-11-9(14)7-8(10)13-16-12-7/h2-6H2,1H3,(H2,10,13)(H,11,14)
InChIKeyHAVWFBICXZDDHX-UHFFFAOYSA-N
XLogP0.20
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(3-propan-2-yloxypropyl)-1,2,5-oxadiazole-3-carboxamide
CID 62685822
4-amino-N-(2-butoxyethyl)benzamide
CID 61171616
4-amino-N-(2,2-diethoxyethyl)-1,2,5-oxadiazole-3-carboxamide
CID 79548056
4-amino-N-(2-butoxyethyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116664892
1-amino-N-(2-butoxyethyl)isoquinoline-4-carboxamide
CID 106771455
3,5-diamino-N-(3-butoxypropyl)benzamide
CID 115597711
4-amino-N-(2-ethoxy-2-methylpropyl)-1,2,5-oxadiazole-3-carboxamide
CID 114942314
4-amino-N-(7-hydroxy-6-oxoheptyl)-1,2,5-oxadiazole-3-carboxamide
CID 58248586
4-amino-N-[2-(cyclohexylmethylamino)ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 39732204
3,6-diamino-2-N,5-N-bis[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrazine-2,5-dicarboxamide
CID 70688451
2-amino-5-bromo-N-(2-butoxyethyl)pyridine-4-carboxamide
CID 114193926
4-amino-N-(2-hydroxy-2-methylpentyl)-1,2,5-oxadiazole-3-carboxamide
CID 106292040

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-butoxyethyl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-(2-butoxyethyl)-1,2,5-oxadiazole-3-carboxamide (CID 62688546) is 4-amino-N-(2-butoxyethyl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2-butoxyethyl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(2-butoxyethyl)-1,2,5-oxadiazole-3-carboxamide is CCCCOCCNC(=O)c1nonc1N.
What is the InChIKey of 4-amino-N-(2-butoxyethyl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is HAVWFBICXZDDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3/c1-2-3-5-15-6-4-11-9(14)7-8(10)13-16-12-7/h2-6H2,1H3,(H2,10,13)(H,11,14).
What are the key properties of 4-amino-N-(2-butoxyethyl)-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-(2-butoxyethyl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 228.25 g/mol, XLogP of 0.20, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-butoxyethyl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 62688546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).