5-(3-chlorophenyl)-N-[2-(4-fluorophenoxy)ethyl]-1,2-oxazole-3-carboxamide

C18H14ClFN2O3 — CID 55637040

IUPAC5-(3-chlorophenyl)-N-[2-(4-fluorophenoxy)ethyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCCOc1ccc(F)cc1)c1cc(-c2cccc(Cl)c2)on1
InChIInChI=1S/C18H14ClFN2O3/c19-13-3-1-2-12(10-13)17-11-16(22-25-17)18(23)21-8-9-24-15-6-4-14(20)5-7-15/h1-7,10-11H,8-9H2,(H,21,23)
InChIKeyQVJYWTVZBDLTSU-UHFFFAOYSA-N
MW360.77 g/mol
LogP3.94
Rot. Bonds6

About 5-(3-chlorophenyl)-N-[2-(4-fluorophenoxy)ethyl]-1,2-oxazole-3-carboxamide

5-(3-chlorophenyl)-N-[2-(4-fluorophenoxy)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 55637040) has the molecular formula C18H14ClFN2O3 and a molecular weight of 360.77 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-[2-(4-fluorophenoxy)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-[2-(4-fluorophenoxy)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID55637040
Molecular FormulaC18H14ClFN2O3
Molecular Weight360.77 g/mol
Exact Mass360.07
IUPAC Name5-(3-chlorophenyl)-N-[2-(4-fluorophenoxy)ethyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCCOc1ccc(F)cc1)c1cc(-c2cccc(Cl)c2)on1
InChIInChI=1S/C18H14ClFN2O3/c19-13-3-1-2-12(10-13)17-11-16(22-25-17)18(23)21-8-9-24-15-6-4-14(20)5-7-15/h1-7,10-11H,8-9H2,(H,21,23)
InChIKeyQVJYWTVZBDLTSU-UHFFFAOYSA-N
XLogP3.94
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.77
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(3-chlorophenyl)-N-[2-(4-fluorophenoxy)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(3-chlorophenyl)-N-[2-(4-fluorophenoxy)ethyl]-1,2-oxazole-3-carboxamide (CID 55637040) is 5-(3-chlorophenyl)-N-[2-(4-fluorophenoxy)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(3-chlorophenyl)-N-[2-(4-fluorophenoxy)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(3-chlorophenyl)-N-[2-(4-fluorophenoxy)ethyl]-1,2-oxazole-3-carboxamide is O=C(NCCOc1ccc(F)cc1)c1cc(-c2cccc(Cl)c2)on1.
What is the InChIKey of 5-(3-chlorophenyl)-N-[2-(4-fluorophenoxy)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is QVJYWTVZBDLTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O3/c19-13-3-1-2-12(10-13)17-11-16(22-25-17)18(23)21-8-9-24-15-6-4-14(20)5-7-15/h1-7,10-11H,8-9H2,(H,21,23).
What are the key properties of 5-(3-chlorophenyl)-N-[2-(4-fluorophenoxy)ethyl]-1,2-oxazole-3-carboxamide?
5-(3-chlorophenyl)-N-[2-(4-fluorophenoxy)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 360.77 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-[2-(4-fluorophenoxy)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 55637040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).