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

C20H23FN4O2 — CID 3074814

IUPAC1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropyl]-[1,3]oxazolo[5,4-b]pyridin-2-one
SMILESCC(CN1CCN(c2ccc(F)cc2)CC1)Cn1c(=O)oc2ncccc21
InChIInChI=1S/C20H23FN4O2/c1-15(14-25-18-3-2-8-22-19(18)27-20(25)26)13-23-9-11-24(12-10-23)17-6-4-16(21)5-7-17/h2-8,15H,9-14H2,1H3
InChIKeyXCZBNGUIOWXWTF-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.59
Rot. Bonds5

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

1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropyl]-[1,3]oxazolo[5,4-b]pyridin-2-one (PubChem CID 3074814) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropyl]-[1,3]oxazolo[5,4-b]pyridin-2-one.

Molecular Properties

Compound Name1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropyl]-[1,3]oxazolo[5,4-b]pyridin-2-one
PubChem CID3074814
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC Name1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropyl]-[1,3]oxazolo[5,4-b]pyridin-2-one
SMILESCC(CN1CCN(c2ccc(F)cc2)CC1)Cn1c(=O)oc2ncccc21
InChIInChI=1S/C20H23FN4O2/c1-15(14-25-18-3-2-8-22-19(18)27-20(25)26)13-23-9-11-24(12-10-23)17-6-4-16(21)5-7-17/h2-8,15H,9-14H2,1H3
InChIKeyXCZBNGUIOWXWTF-UHFFFAOYSA-N
XLogP2.59
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropyl]-[1,3]oxazolo[5,4-b]pyridin-2-one?
The IUPAC name of 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropyl]-[1,3]oxazolo[5,4-b]pyridin-2-one (CID 3074814) is 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropyl]-[1,3]oxazolo[5,4-b]pyridin-2-one.
What is the SMILES notation for 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropyl]-[1,3]oxazolo[5,4-b]pyridin-2-one?
The canonical SMILES for 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropyl]-[1,3]oxazolo[5,4-b]pyridin-2-one is CC(CN1CCN(c2ccc(F)cc2)CC1)Cn1c(=O)oc2ncccc21.
What is the InChIKey of 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropyl]-[1,3]oxazolo[5,4-b]pyridin-2-one?
The InChIKey is XCZBNGUIOWXWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2/c1-15(14-25-18-3-2-8-22-19(18)27-20(25)26)13-23-9-11-24(12-10-23)17-6-4-16(21)5-7-17/h2-8,15H,9-14H2,1H3.
What are the key properties of 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropyl]-[1,3]oxazolo[5,4-b]pyridin-2-one?
1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropyl]-[1,3]oxazolo[5,4-b]pyridin-2-one has a molecular weight of 370.43 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropyl]-[1,3]oxazolo[5,4-b]pyridin-2-one is sourced from PubChem (CID 3074814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).