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

C13H20N4O5 — CID 51049292

IUPACN-(3-methoxypropyl)-3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-oxadiazole-5-carboxamide
SMILESCOCCCNC(=O)c1nc(CC(=O)N2CCOCC2)no1
InChIInChI=1S/C13H20N4O5/c1-20-6-2-3-14-12(19)13-15-10(16-22-13)9-11(18)17-4-7-21-8-5-17/h2-9H2,1H3,(H,14,19)
InChIKeyPLJHBGVKRJEQQR-UHFFFAOYSA-N
MW312.33 g/mol
LogP-0.76
Rot. Bonds7

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

N-(3-methoxypropyl)-3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 51049292) has the molecular formula C13H20N4O5 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-(3-methoxypropyl)-3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID51049292
Molecular FormulaC13H20N4O5
Molecular Weight312.33 g/mol
Exact Mass312.14
IUPAC NameN-(3-methoxypropyl)-3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-oxadiazole-5-carboxamide
SMILESCOCCCNC(=O)c1nc(CC(=O)N2CCOCC2)no1
InChIInChI=1S/C13H20N4O5/c1-20-6-2-3-14-12(19)13-15-10(16-22-13)9-11(18)17-4-7-21-8-5-17/h2-9H2,1H3,(H,14,19)
InChIKeyPLJHBGVKRJEQQR-UHFFFAOYSA-N
XLogP-0.76
TPSA106.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 5-0.76
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-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-oxadiazole-5-carboxamide (CID 51049292) is N-(3-methoxypropyl)-3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-oxadiazole-5-carboxamide is COCCCNC(=O)c1nc(CC(=O)N2CCOCC2)no1.
What is the InChIKey of N-(3-methoxypropyl)-3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is PLJHBGVKRJEQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O5/c1-20-6-2-3-14-12(19)13-15-10(16-22-13)9-11(18)17-4-7-21-8-5-17/h2-9H2,1H3,(H,14,19).
What are the key properties of N-(3-methoxypropyl)-3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-oxadiazole-5-carboxamide?
N-(3-methoxypropyl)-3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 312.33 g/mol, XLogP of -0.76, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 51049292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).