4-amino-N-(7-hydroxy-6-oxoheptyl)-1,2,5-oxadiazole-3-carboxamide

C10H16N4O4 — CID 58248586

IUPAC4-amino-N-(7-hydroxy-6-oxoheptyl)-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)NCCCCCC(=O)CO
InChIInChI=1S/C10H16N4O4/c11-9-8(13-18-14-9)10(17)12-5-3-1-2-4-7(16)6-15/h15H,1-6H2,(H2,11,14)(H,12,17)
InChIKeyTVVLFJCHQQVCFB-UHFFFAOYSA-N
MW256.26 g/mol
LogP-0.50
Rot. Bonds8

About 4-amino-N-(7-hydroxy-6-oxoheptyl)-1,2,5-oxadiazole-3-carboxamide

4-amino-N-(7-hydroxy-6-oxoheptyl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 58248586) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 4-amino-N-(7-hydroxy-6-oxoheptyl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(7-hydroxy-6-oxoheptyl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID58248586
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Name4-amino-N-(7-hydroxy-6-oxoheptyl)-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)NCCCCCC(=O)CO
InChIInChI=1S/C10H16N4O4/c11-9-8(13-18-14-9)10(17)12-5-3-1-2-4-7(16)6-15/h15H,1-6H2,(H2,11,14)(H,12,17)
InChIKeyTVVLFJCHQQVCFB-UHFFFAOYSA-N
XLogP-0.50
TPSA131.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-(3-propan-2-yloxypropyl)-1,2,5-oxadiazole-3-carboxamide
CID 62685822
4-amino-N-(2-butoxyethyl)-1,2,5-oxadiazole-3-carboxamide
CID 62688546
4-amino-N-[4-[(4-cyclopropylphenyl)carbamoylamino]butyl]-1,2,5-oxadiazole-3-carboxamide
CID 178156659
4-amino-N-[2-(cyclohexylmethylamino)ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 39732204
4-amino-N-(2-phenylsulfanylethyl)-1,2,5-oxadiazole-3-carboxamide
CID 55091034
4-amino-N-[2-[(4-fluorophenyl)methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 2304316
4-amino-N-(2,2-diethoxyethyl)-1,2,5-oxadiazole-3-carboxamide
CID 79548056
4-amino-N-(2-ethoxy-2-methylpropyl)-1,2,5-oxadiazole-3-carboxamide
CID 114942314
4-amino-N-[(6-methyl-3-pyridinyl)methyl]-1,2,5-oxadiazole-3-carboxamide
CID 62997371
4-amino-N-(2-hydroxy-2-methylpentyl)-1,2,5-oxadiazole-3-carboxamide
CID 106292040
4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,2,5-oxadiazole-3-carboxamide
CID 62688490

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(7-hydroxy-6-oxoheptyl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-(7-hydroxy-6-oxoheptyl)-1,2,5-oxadiazole-3-carboxamide (CID 58248586) is 4-amino-N-(7-hydroxy-6-oxoheptyl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(7-hydroxy-6-oxoheptyl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(7-hydroxy-6-oxoheptyl)-1,2,5-oxadiazole-3-carboxamide is Nc1nonc1C(=O)NCCCCCC(=O)CO.
What is the InChIKey of 4-amino-N-(7-hydroxy-6-oxoheptyl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is TVVLFJCHQQVCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4/c11-9-8(13-18-14-9)10(17)12-5-3-1-2-4-7(16)6-15/h15H,1-6H2,(H2,11,14)(H,12,17).
What are the key properties of 4-amino-N-(7-hydroxy-6-oxoheptyl)-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-(7-hydroxy-6-oxoheptyl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 256.26 g/mol, XLogP of -0.50, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(7-hydroxy-6-oxoheptyl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 58248586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).