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

C16H19FN4O3 — CID 6471674

IUPAC3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C16H19FN4O3/c17-13-4-2-12(3-5-13)14-19-16(24-20-14)15(22)18-6-1-7-21-8-10-23-11-9-21/h2-5H,1,6-11H2,(H,18,22)
InChIKeyMVQGMJMJMCXNDB-UHFFFAOYSA-N
MW334.35 g/mol
LogP1.33
Rot. Bonds6

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

3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 6471674) has the molecular formula C16H19FN4O3 and a molecular weight of 334.35 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID6471674
Molecular FormulaC16H19FN4O3
Molecular Weight334.35 g/mol
Exact Mass334.14
IUPAC Name3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C16H19FN4O3/c17-13-4-2-12(3-5-13)14-19-16(24-20-14)15(22)18-6-1-7-21-8-10-23-11-9-21/h2-5H,1,6-11H2,(H,18,22)
InChIKeyMVQGMJMJMCXNDB-UHFFFAOYSA-N
XLogP1.33
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 51.33
H-Bond Donors ≤ 51
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 3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide (CID 6471674) is 3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide is O=C(NCCCN1CCOCC1)c1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is MVQGMJMJMCXNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O3/c17-13-4-2-12(3-5-13)14-19-16(24-20-14)15(22)18-6-1-7-21-8-10-23-11-9-21/h2-5H,1,6-11H2,(H,18,22).
What are the key properties of 3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide?
3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 334.35 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 6471674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).