5-(4-fluorophenyl)-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1,3,4-oxadiazol-2-one

C18H25FN4O2 — CID 86818646

IUPAC5-(4-fluorophenyl)-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1,3,4-oxadiazol-2-one
SMILESCC(C)N1CCN(CCCn2nc(-c3ccc(F)cc3)oc2=O)CC1
InChIInChI=1S/C18H25FN4O2/c1-14(2)22-12-10-21(11-13-22)8-3-9-23-18(24)25-17(20-23)15-4-6-16(19)7-5-15/h4-7,14H,3,8-13H2,1-2H3
InChIKeyHXISICXYLJHGHV-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.06
Rot. Bonds6

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

5-(4-fluorophenyl)-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1,3,4-oxadiazol-2-one (PubChem CID 86818646) has the molecular formula C18H25FN4O2 and a molecular weight of 348.42 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1,3,4-oxadiazol-2-one
PubChem CID86818646
Molecular FormulaC18H25FN4O2
Molecular Weight348.42 g/mol
Exact Mass348.20
IUPAC Name5-(4-fluorophenyl)-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1,3,4-oxadiazol-2-one
SMILESCC(C)N1CCN(CCCn2nc(-c3ccc(F)cc3)oc2=O)CC1
InChIInChI=1S/C18H25FN4O2/c1-14(2)22-12-10-21(11-13-22)8-3-9-23-18(24)25-17(20-23)15-4-6-16(19)7-5-15/h4-7,14H,3,8-13H2,1-2H3
InChIKeyHXISICXYLJHGHV-UHFFFAOYSA-N
XLogP2.06
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(4-fluorophenyl)-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1,3,4-oxadiazol-2-one (CID 86818646) is 5-(4-fluorophenyl)-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(4-fluorophenyl)-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(4-fluorophenyl)-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1,3,4-oxadiazol-2-one is CC(C)N1CCN(CCCn2nc(-c3ccc(F)cc3)oc2=O)CC1.
What is the InChIKey of 5-(4-fluorophenyl)-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1,3,4-oxadiazol-2-one?
The InChIKey is HXISICXYLJHGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O2/c1-14(2)22-12-10-21(11-13-22)8-3-9-23-18(24)25-17(20-23)15-4-6-16(19)7-5-15/h4-7,14H,3,8-13H2,1-2H3.
What are the key properties of 5-(4-fluorophenyl)-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1,3,4-oxadiazol-2-one?
5-(4-fluorophenyl)-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1,3,4-oxadiazol-2-one has a molecular weight of 348.42 g/mol, XLogP of 2.06, 6 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-propan-2-ylpiperazin-1-yl)propyl]-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 86818646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).