1-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-[1,3]oxazolo[5,4-b]pyridin-2-one

C18H19FN4O2 — CID 3072495

IUPAC1-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-[1,3]oxazolo[5,4-b]pyridin-2-one
SMILESO=c1oc2ncccc2n1CCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H19FN4O2/c19-14-3-5-15(6-4-14)22-11-8-21(9-12-22)10-13-23-16-2-1-7-20-17(16)25-18(23)24/h1-7H,8-13H2
InChIKeyKVTGBLJGLWOMBV-UHFFFAOYSA-N
MW342.37 g/mol
LogP1.95
Rot. Bonds4

About 1-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-[1,3]oxazolo[5,4-b]pyridin-2-one

1-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-[1,3]oxazolo[5,4-b]pyridin-2-one (PubChem CID 3072495) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is 1-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-[1,3]oxazolo[5,4-b]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-[1,3]oxazolo[5,4-b]pyridin-2-one
PubChem CID3072495
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC Name1-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-[1,3]oxazolo[5,4-b]pyridin-2-one
SMILESO=c1oc2ncccc2n1CCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H19FN4O2/c19-14-3-5-15(6-4-14)22-11-8-21(9-12-22)10-13-23-16-2-1-7-20-17(16)25-18(23)24/h1-7H,8-13H2
InChIKeyKVTGBLJGLWOMBV-UHFFFAOYSA-N
XLogP1.95
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-[1,3]oxazolo[5,4-b]pyridin-2-one?
The IUPAC name of 1-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-[1,3]oxazolo[5,4-b]pyridin-2-one (CID 3072495) is 1-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-[1,3]oxazolo[5,4-b]pyridin-2-one.
What is the SMILES notation for 1-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-[1,3]oxazolo[5,4-b]pyridin-2-one?
The canonical SMILES for 1-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-[1,3]oxazolo[5,4-b]pyridin-2-one is O=c1oc2ncccc2n1CCN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-[1,3]oxazolo[5,4-b]pyridin-2-one?
The InChIKey is KVTGBLJGLWOMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2/c19-14-3-5-15(6-4-14)22-11-8-21(9-12-22)10-13-23-16-2-1-7-20-17(16)25-18(23)24/h1-7H,8-13H2.
What are the key properties of 1-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-[1,3]oxazolo[5,4-b]pyridin-2-one?
1-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-[1,3]oxazolo[5,4-b]pyridin-2-one has a molecular weight of 342.37 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-[1,3]oxazolo[5,4-b]pyridin-2-one is sourced from PubChem (CID 3072495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).