3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide

C17H24N6O4 — CID 91950899

IUPAC3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide
SMILESCc1noc(-c2cncn(CCC(=O)NCCCN3CCOCC3)c2=O)n1
InChIInChI=1S/C17H24N6O4/c1-13-20-16(27-21-13)14-11-18-12-23(17(14)25)6-3-15(24)19-4-2-5-22-7-9-26-10-8-22/h11-12H,2-10H2,1H3,(H,19,24)
InChIKeyWEMQHQVSXBKSDC-UHFFFAOYSA-N
MW376.42 g/mol
LogP-0.17
Rot. Bonds8

About 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide

3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide (PubChem CID 91950899) has the molecular formula C17H24N6O4 and a molecular weight of 376.42 g/mol. Its IUPAC name is 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide.

Molecular Properties

Compound Name3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide
PubChem CID91950899
Molecular FormulaC17H24N6O4
Molecular Weight376.42 g/mol
Exact Mass376.19
IUPAC Name3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide
SMILESCc1noc(-c2cncn(CCC(=O)NCCCN3CCOCC3)c2=O)n1
InChIInChI=1S/C17H24N6O4/c1-13-20-16(27-21-13)14-11-18-12-23(17(14)25)6-3-15(24)19-4-2-5-22-7-9-26-10-8-22/h11-12H,2-10H2,1H3,(H,19,24)
InChIKeyWEMQHQVSXBKSDC-UHFFFAOYSA-N
XLogP-0.17
TPSA115.38 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide?
The IUPAC name of 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide (CID 91950899) is 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide.
What is the SMILES notation for 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide?
The canonical SMILES for 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide is Cc1noc(-c2cncn(CCC(=O)NCCCN3CCOCC3)c2=O)n1.
What is the InChIKey of 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide?
The InChIKey is WEMQHQVSXBKSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O4/c1-13-20-16(27-21-13)14-11-18-12-23(17(14)25)6-3-15(24)19-4-2-5-22-7-9-26-10-8-22/h11-12H,2-10H2,1H3,(H,19,24).
What are the key properties of 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide?
3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide has a molecular weight of 376.42 g/mol, XLogP of -0.17, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide is sourced from PubChem (CID 91950899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).