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

C8H14N4O3 — CID 106134755

IUPAC4-amino-N-(4-hydroxypentyl)-1,2,5-oxadiazole-3-carboxamide
SMILESCC(O)CCCNC(=O)c1nonc1N
InChIInChI=1S/C8H14N4O3/c1-5(13)3-2-4-10-8(14)6-7(9)12-15-11-6/h5,13H,2-4H2,1H3,(H2,9,12)(H,10,14)
InChIKeyMPLIWDZAMSFOPP-UHFFFAOYSA-N
MW214.22 g/mol
LogP-0.46
Rot. Bonds5

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

4-amino-N-(4-hydroxypentyl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 106134755) has the molecular formula C8H14N4O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is 4-amino-N-(4-hydroxypentyl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-hydroxypentyl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID106134755
Molecular FormulaC8H14N4O3
Molecular Weight214.22 g/mol
Exact Mass214.11
IUPAC Name4-amino-N-(4-hydroxypentyl)-1,2,5-oxadiazole-3-carboxamide
SMILESCC(O)CCCNC(=O)c1nonc1N
InChIInChI=1S/C8H14N4O3/c1-5(13)3-2-4-10-8(14)6-7(9)12-15-11-6/h5,13H,2-4H2,1H3,(H2,9,12)(H,10,14)
InChIKeyMPLIWDZAMSFOPP-UHFFFAOYSA-N
XLogP-0.46
TPSA114.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-hydroxypentyl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-(4-hydroxypentyl)-1,2,5-oxadiazole-3-carboxamide (CID 106134755) is 4-amino-N-(4-hydroxypentyl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(4-hydroxypentyl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(4-hydroxypentyl)-1,2,5-oxadiazole-3-carboxamide is CC(O)CCCNC(=O)c1nonc1N.
What is the InChIKey of 4-amino-N-(4-hydroxypentyl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is MPLIWDZAMSFOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3/c1-5(13)3-2-4-10-8(14)6-7(9)12-15-11-6/h5,13H,2-4H2,1H3,(H2,9,12)(H,10,14).
What are the key properties of 4-amino-N-(4-hydroxypentyl)-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-(4-hydroxypentyl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 214.22 g/mol, XLogP of -0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-hydroxypentyl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 106134755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).