5-(4-fluorophenyl)-3-[3-(4-methoxyphenoxy)propyl]-1,3,4-oxadiazol-2-one

C18H17FN2O4 — CID 24599512

IUPAC5-(4-fluorophenyl)-3-[3-(4-methoxyphenoxy)propyl]-1,3,4-oxadiazol-2-one
SMILESCOc1ccc(OCCCn2nc(-c3ccc(F)cc3)oc2=O)cc1
InChIInChI=1S/C18H17FN2O4/c1-23-15-7-9-16(10-8-15)24-12-2-11-21-18(22)25-17(20-21)13-3-5-14(19)6-4-13/h3-10H,2,11-12H2,1H3
InChIKeyFNFFKXLUZNUNLG-UHFFFAOYSA-N
MW344.34 g/mol
LogP3.12
Rot. Bonds7

About 5-(4-fluorophenyl)-3-[3-(4-methoxyphenoxy)propyl]-1,3,4-oxadiazol-2-one

5-(4-fluorophenyl)-3-[3-(4-methoxyphenoxy)propyl]-1,3,4-oxadiazol-2-one (PubChem CID 24599512) has the molecular formula C18H17FN2O4 and a molecular weight of 344.34 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-[3-(4-methoxyphenoxy)propyl]-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-[3-(4-methoxyphenoxy)propyl]-1,3,4-oxadiazol-2-one
PubChem CID24599512
Molecular FormulaC18H17FN2O4
Molecular Weight344.34 g/mol
Exact Mass344.12
IUPAC Name5-(4-fluorophenyl)-3-[3-(4-methoxyphenoxy)propyl]-1,3,4-oxadiazol-2-one
SMILESCOc1ccc(OCCCn2nc(-c3ccc(F)cc3)oc2=O)cc1
InChIInChI=1S/C18H17FN2O4/c1-23-15-7-9-16(10-8-15)24-12-2-11-21-18(22)25-17(20-21)13-3-5-14(19)6-4-13/h3-10H,2,11-12H2,1H3
InChIKeyFNFFKXLUZNUNLG-UHFFFAOYSA-N
XLogP3.12
TPSA66.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 53.12
H-Bond Donors ≤ 50
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 5-(4-fluorophenyl)-3-[3-(4-methoxyphenoxy)propyl]-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(4-fluorophenyl)-3-[3-(4-methoxyphenoxy)propyl]-1,3,4-oxadiazol-2-one (CID 24599512) is 5-(4-fluorophenyl)-3-[3-(4-methoxyphenoxy)propyl]-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(4-fluorophenyl)-3-[3-(4-methoxyphenoxy)propyl]-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(4-fluorophenyl)-3-[3-(4-methoxyphenoxy)propyl]-1,3,4-oxadiazol-2-one is COc1ccc(OCCCn2nc(-c3ccc(F)cc3)oc2=O)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-3-[3-(4-methoxyphenoxy)propyl]-1,3,4-oxadiazol-2-one?
The InChIKey is FNFFKXLUZNUNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O4/c1-23-15-7-9-16(10-8-15)24-12-2-11-21-18(22)25-17(20-21)13-3-5-14(19)6-4-13/h3-10H,2,11-12H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-3-[3-(4-methoxyphenoxy)propyl]-1,3,4-oxadiazol-2-one?
5-(4-fluorophenyl)-3-[3-(4-methoxyphenoxy)propyl]-1,3,4-oxadiazol-2-one has a molecular weight of 344.34 g/mol, XLogP of 3.12, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-[3-(4-methoxyphenoxy)propyl]-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 24599512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).