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

C17H20FN3O3 — CID 3243233

IUPAC5-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C17H20FN3O3/c18-14-4-2-13(3-5-14)16-12-15(20-24-16)17(22)19-6-1-7-21-8-10-23-11-9-21/h2-5,12H,1,6-11H2,(H,19,22)
InChIKeyRSNFDGVUQFYATD-UHFFFAOYSA-N
MW333.36 g/mol
LogP1.93
Rot. Bonds6

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

5-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 3243233) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID3243233
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name5-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C17H20FN3O3/c18-14-4-2-13(3-5-14)16-12-15(20-24-16)17(22)19-6-1-7-21-8-10-23-11-9-21/h2-5,12H,1,6-11H2,(H,19,22)
InChIKeyRSNFDGVUQFYATD-UHFFFAOYSA-N
XLogP1.93
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 5-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide (CID 3243233) is 5-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide is O=C(NCCCN1CCOCC1)c1cc(-c2ccc(F)cc2)on1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is RSNFDGVUQFYATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3/c18-14-4-2-13(3-5-14)16-12-15(20-24-16)17(22)19-6-1-7-21-8-10-23-11-9-21/h2-5,12H,1,6-11H2,(H,19,22).
What are the key properties of 5-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide?
5-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 333.36 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3243233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).