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

C10H17N5O3 — CID 567684

IUPAC4-amino-N-(3-morpholin-4-ylpropyl)-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C10H17N5O3/c11-9-8(13-18-14-9)10(16)12-2-1-3-15-4-6-17-7-5-15/h1-7H2,(H2,11,14)(H,12,16)
InChIKeyJZTOBLUDSVEFCJ-UHFFFAOYSA-N
MW255.28 g/mol
LogP-0.90
Rot. Bonds5

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

4-amino-N-(3-morpholin-4-ylpropyl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 567684) has the molecular formula C10H17N5O3 and a molecular weight of 255.28 g/mol. Its IUPAC name is 4-amino-N-(3-morpholin-4-ylpropyl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-morpholin-4-ylpropyl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID567684
Molecular FormulaC10H17N5O3
Molecular Weight255.28 g/mol
Exact Mass255.13
IUPAC Name4-amino-N-(3-morpholin-4-ylpropyl)-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C10H17N5O3/c11-9-8(13-18-14-9)10(16)12-2-1-3-15-4-6-17-7-5-15/h1-7H2,(H2,11,14)(H,12,16)
InChIKeyJZTOBLUDSVEFCJ-UHFFFAOYSA-N
XLogP-0.90
TPSA106.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(3-morpholin-4-ylpropyl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-(3-morpholin-4-ylpropyl)-1,2,5-oxadiazole-3-carboxamide (CID 567684) is 4-amino-N-(3-morpholin-4-ylpropyl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(3-morpholin-4-ylpropyl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(3-morpholin-4-ylpropyl)-1,2,5-oxadiazole-3-carboxamide is Nc1nonc1C(=O)NCCCN1CCOCC1.
What is the InChIKey of 4-amino-N-(3-morpholin-4-ylpropyl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is JZTOBLUDSVEFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3/c11-9-8(13-18-14-9)10(16)12-2-1-3-15-4-6-17-7-5-15/h1-7H2,(H2,11,14)(H,12,16).
What are the key properties of 4-amino-N-(3-morpholin-4-ylpropyl)-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-(3-morpholin-4-ylpropyl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 255.28 g/mol, XLogP of -0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-morpholin-4-ylpropyl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 567684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).