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

C19H16ClFN2O3 — CID 39490480

IUPAC5-(3-chlorophenyl)-N-[3-(2-fluorophenoxy)propyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCOc1ccccc1F)c1cc(-c2cccc(Cl)c2)on1
InChIInChI=1S/C19H16ClFN2O3/c20-14-6-3-5-13(11-14)18-12-16(23-26-18)19(24)22-9-4-10-25-17-8-2-1-7-15(17)21/h1-3,5-8,11-12H,4,9-10H2,(H,22,24)
InChIKeyPCULFHGQTDFFJZ-UHFFFAOYSA-N
MW374.80 g/mol
LogP4.33
Rot. Bonds7

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

5-(3-chlorophenyl)-N-[3-(2-fluorophenoxy)propyl]-1,2-oxazole-3-carboxamide (PubChem CID 39490480) has the molecular formula C19H16ClFN2O3 and a molecular weight of 374.80 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-[3-(2-fluorophenoxy)propyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-[3-(2-fluorophenoxy)propyl]-1,2-oxazole-3-carboxamide
PubChem CID39490480
Molecular FormulaC19H16ClFN2O3
Molecular Weight374.80 g/mol
Exact Mass374.08
IUPAC Name5-(3-chlorophenyl)-N-[3-(2-fluorophenoxy)propyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCOc1ccccc1F)c1cc(-c2cccc(Cl)c2)on1
InChIInChI=1S/C19H16ClFN2O3/c20-14-6-3-5-13(11-14)18-12-16(23-26-18)19(24)22-9-4-10-25-17-8-2-1-7-15(17)21/h1-3,5-8,11-12H,4,9-10H2,(H,22,24)
InChIKeyPCULFHGQTDFFJZ-UHFFFAOYSA-N
XLogP4.33
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.80
LogP ≤ 54.33
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-[3-(2-fluorophenoxy)propyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(3-chlorophenyl)-N-[3-(2-fluorophenoxy)propyl]-1,2-oxazole-3-carboxamide (CID 39490480) is 5-(3-chlorophenyl)-N-[3-(2-fluorophenoxy)propyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(3-chlorophenyl)-N-[3-(2-fluorophenoxy)propyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(3-chlorophenyl)-N-[3-(2-fluorophenoxy)propyl]-1,2-oxazole-3-carboxamide is O=C(NCCCOc1ccccc1F)c1cc(-c2cccc(Cl)c2)on1.
What is the InChIKey of 5-(3-chlorophenyl)-N-[3-(2-fluorophenoxy)propyl]-1,2-oxazole-3-carboxamide?
The InChIKey is PCULFHGQTDFFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O3/c20-14-6-3-5-13(11-14)18-12-16(23-26-18)19(24)22-9-4-10-25-17-8-2-1-7-15(17)21/h1-3,5-8,11-12H,4,9-10H2,(H,22,24).
What are the key properties of 5-(3-chlorophenyl)-N-[3-(2-fluorophenoxy)propyl]-1,2-oxazole-3-carboxamide?
5-(3-chlorophenyl)-N-[3-(2-fluorophenoxy)propyl]-1,2-oxazole-3-carboxamide has a molecular weight of 374.80 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-[3-(2-fluorophenoxy)propyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 39490480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).