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

C9H16N4O3 — CID 62685822

IUPAC4-amino-N-(3-propan-2-yloxypropyl)-1,2,5-oxadiazole-3-carboxamide
SMILESCC(C)OCCCNC(=O)c1nonc1N
InChIInChI=1S/C9H16N4O3/c1-6(2)15-5-3-4-11-9(14)7-8(10)13-16-12-7/h6H,3-5H2,1-2H3,(H2,10,13)(H,11,14)
InChIKeyGHGOBRYCJLYZOK-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.20
Rot. Bonds6

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

4-amino-N-(3-propan-2-yloxypropyl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 62685822) has the molecular formula C9H16N4O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 4-amino-N-(3-propan-2-yloxypropyl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-propan-2-yloxypropyl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID62685822
Molecular FormulaC9H16N4O3
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC Name4-amino-N-(3-propan-2-yloxypropyl)-1,2,5-oxadiazole-3-carboxamide
SMILESCC(C)OCCCNC(=O)c1nonc1N
InChIInChI=1S/C9H16N4O3/c1-6(2)15-5-3-4-11-9(14)7-8(10)13-16-12-7/h6H,3-5H2,1-2H3,(H2,10,13)(H,11,14)
InChIKeyGHGOBRYCJLYZOK-UHFFFAOYSA-N
XLogP0.20
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
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-(4-hydroxypentyl)-1,2,5-oxadiazole-3-carboxamide
CID 106134755
4-amino-N-(2-butoxyethyl)-1,2,5-oxadiazole-3-carboxamide
CID 62688546
4-amino-N-(2,2-diethoxyethyl)-1,2,5-oxadiazole-3-carboxamide
CID 79548056
2-amino-N-(3-propan-2-yloxypropyl)benzamide
CID 61249223
4-amino-1-methyl-N-(3-propan-2-yloxypropyl)pyrazole-5-carboxamide
CID 132586606
4-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 58973544
2-amino-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide
CID 114137448
5-amino-N-(4-propan-2-yloxybutyl)pyrazine-2-carboxamide
CID 114137453
5-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 120616939
(2R)-2-amino-3-methyl-N-(3-propan-2-yloxypropyl)butanamide
CID 79012909
3,5-dimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 54385024
2,4,5-trimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 100709096

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-propan-2-yloxypropyl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-(3-propan-2-yloxypropyl)-1,2,5-oxadiazole-3-carboxamide (CID 62685822) is 4-amino-N-(3-propan-2-yloxypropyl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(3-propan-2-yloxypropyl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(3-propan-2-yloxypropyl)-1,2,5-oxadiazole-3-carboxamide is CC(C)OCCCNC(=O)c1nonc1N.
What is the InChIKey of 4-amino-N-(3-propan-2-yloxypropyl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is GHGOBRYCJLYZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3/c1-6(2)15-5-3-4-11-9(14)7-8(10)13-16-12-7/h6H,3-5H2,1-2H3,(H2,10,13)(H,11,14).
What are the key properties of 4-amino-N-(3-propan-2-yloxypropyl)-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-(3-propan-2-yloxypropyl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 228.25 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-propan-2-yloxypropyl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 62685822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).