N-(3-methoxypropyl)-3-pyrazin-2-yl-1,2,4-oxadiazole-5-carboxamide

C11H13N5O3 — CID 45371047

IUPACN-(3-methoxypropyl)-3-pyrazin-2-yl-1,2,4-oxadiazole-5-carboxamide
SMILESCOCCCNC(=O)c1nc(-c2cnccn2)no1
InChIInChI=1S/C11H13N5O3/c1-18-6-2-3-14-10(17)11-15-9(16-19-11)8-7-12-4-5-13-8/h4-5,7H,2-3,6H2,1H3,(H,14,17)
InChIKeyXLYDSBXHVHUSIT-UHFFFAOYSA-N
MW263.26 g/mol
LogP0.29
Rot. Bonds6

About N-(3-methoxypropyl)-3-pyrazin-2-yl-1,2,4-oxadiazole-5-carboxamide

N-(3-methoxypropyl)-3-pyrazin-2-yl-1,2,4-oxadiazole-5-carboxamide (PubChem CID 45371047) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is N-(3-methoxypropyl)-3-pyrazin-2-yl-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-3-pyrazin-2-yl-1,2,4-oxadiazole-5-carboxamide
PubChem CID45371047
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC NameN-(3-methoxypropyl)-3-pyrazin-2-yl-1,2,4-oxadiazole-5-carboxamide
SMILESCOCCCNC(=O)c1nc(-c2cnccn2)no1
InChIInChI=1S/C11H13N5O3/c1-18-6-2-3-14-10(17)11-15-9(16-19-11)8-7-12-4-5-13-8/h4-5,7H,2-3,6H2,1H3,(H,14,17)
InChIKeyXLYDSBXHVHUSIT-UHFFFAOYSA-N
XLogP0.29
TPSA103.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 50.29
H-Bond Donors ≤ 51
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 N-(3-methoxypropyl)-3-pyrazin-2-yl-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-3-pyrazin-2-yl-1,2,4-oxadiazole-5-carboxamide (CID 45371047) is N-(3-methoxypropyl)-3-pyrazin-2-yl-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-3-pyrazin-2-yl-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-3-pyrazin-2-yl-1,2,4-oxadiazole-5-carboxamide is COCCCNC(=O)c1nc(-c2cnccn2)no1.
What is the InChIKey of N-(3-methoxypropyl)-3-pyrazin-2-yl-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is XLYDSBXHVHUSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c1-18-6-2-3-14-10(17)11-15-9(16-19-11)8-7-12-4-5-13-8/h4-5,7H,2-3,6H2,1H3,(H,14,17).
What are the key properties of N-(3-methoxypropyl)-3-pyrazin-2-yl-1,2,4-oxadiazole-5-carboxamide?
N-(3-methoxypropyl)-3-pyrazin-2-yl-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 263.26 g/mol, XLogP of 0.29, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-3-pyrazin-2-yl-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 45371047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).