3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propyl]propanamide

C18H16F4N4O3 — CID 53311820

IUPAC3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propyl]propanamide
SMILESO=C(CCc1coc(-c2ccc(F)cc2)n1)NCCCc1noc(C(F)(F)F)n1
InChIInChI=1S/C18H16F4N4O3/c19-12-5-3-11(4-6-12)16-24-13(10-28-16)7-8-15(27)23-9-1-2-14-25-17(29-26-14)18(20,21)22/h3-6,10H,1-2,7-9H2,(H,23,27)
InChIKeyZCLAOXCBBXODIX-UHFFFAOYSA-N
MW412.34 g/mol
LogP3.56
Rot. Bonds8

About 3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propyl]propanamide

3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propyl]propanamide (PubChem CID 53311820) has the molecular formula C18H16F4N4O3 and a molecular weight of 412.34 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propyl]propanamide.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propyl]propanamide
PubChem CID53311820
Molecular FormulaC18H16F4N4O3
Molecular Weight412.34 g/mol
Exact Mass412.12
IUPAC Name3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propyl]propanamide
SMILESO=C(CCc1coc(-c2ccc(F)cc2)n1)NCCCc1noc(C(F)(F)F)n1
InChIInChI=1S/C18H16F4N4O3/c19-12-5-3-11(4-6-12)16-24-13(10-28-16)7-8-15(27)23-9-1-2-14-25-17(29-26-14)18(20,21)22/h3-6,10H,1-2,7-9H2,(H,23,27)
InChIKeyZCLAOXCBBXODIX-UHFFFAOYSA-N
XLogP3.56
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.34
LogP ≤ 53.56
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-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propyl]propanamide?
The IUPAC name of 3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propyl]propanamide (CID 53311820) is 3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propyl]propanamide.
What is the SMILES notation for 3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propyl]propanamide?
The canonical SMILES for 3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propyl]propanamide is O=C(CCc1coc(-c2ccc(F)cc2)n1)NCCCc1noc(C(F)(F)F)n1.
What is the InChIKey of 3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propyl]propanamide?
The InChIKey is ZCLAOXCBBXODIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N4O3/c19-12-5-3-11(4-6-12)16-24-13(10-28-16)7-8-15(27)23-9-1-2-14-25-17(29-26-14)18(20,21)22/h3-6,10H,1-2,7-9H2,(H,23,27).
What are the key properties of 3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propyl]propanamide?
3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propyl]propanamide has a molecular weight of 412.34 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propyl]propanamide is sourced from PubChem (CID 53311820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).