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

C17H20FN3O3 — CID 17096081

IUPAC3-(2-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-5-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cc(-c2ccccc2F)no1
InChIInChI=1S/C17H20FN3O3/c18-14-5-2-1-4-13(14)15-12-16(24-20-15)17(22)19-6-3-7-21-8-10-23-11-9-21/h1-2,4-5,12H,3,6-11H2,(H,19,22)
InChIKeyYJNFXMDNDOFFJP-UHFFFAOYSA-N
MW333.36 g/mol
LogP1.93
Rot. Bonds6

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

3-(2-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-5-carboxamide (PubChem CID 17096081) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-5-carboxamide
PubChem CID17096081
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name3-(2-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-5-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cc(-c2ccccc2F)no1
InChIInChI=1S/C17H20FN3O3/c18-14-5-2-1-4-13(14)15-12-16(24-20-15)17(22)19-6-3-7-21-8-10-23-11-9-21/h1-2,4-5,12H,3,6-11H2,(H,19,22)
InChIKeyYJNFXMDNDOFFJP-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 3-(2-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-5-carboxamide (CID 17096081) is 3-(2-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-5-carboxamide is O=C(NCCCN1CCOCC1)c1cc(-c2ccccc2F)no1.
What is the InChIKey of 3-(2-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-5-carboxamide?
The InChIKey is YJNFXMDNDOFFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3/c18-14-5-2-1-4-13(14)15-12-16(24-20-15)17(22)19-6-3-7-21-8-10-23-11-9-21/h1-2,4-5,12H,3,6-11H2,(H,19,22).
What are the key properties of 3-(2-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-5-carboxamide?
3-(2-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-5-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 3-(2-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 17096081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).