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

C21H25FN4O2 — CID 3074816

IUPAC1-[5-[4-(4-fluorophenyl)piperazin-1-yl]pentyl]-[1,3]oxazolo[5,4-b]pyridin-2-one
SMILESO=c1oc2ncccc2n1CCCCCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H25FN4O2/c22-17-6-8-18(9-7-17)25-15-13-24(14-16-25)11-2-1-3-12-26-19-5-4-10-23-20(19)28-21(26)27/h4-10H,1-3,11-16H2
InChIKeyKIQKZVZZDVFWOL-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.12
Rot. Bonds7

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

1-[5-[4-(4-fluorophenyl)piperazin-1-yl]pentyl]-[1,3]oxazolo[5,4-b]pyridin-2-one (PubChem CID 3074816) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is 1-[5-[4-(4-fluorophenyl)piperazin-1-yl]pentyl]-[1,3]oxazolo[5,4-b]pyridin-2-one.

Molecular Properties

Compound Name1-[5-[4-(4-fluorophenyl)piperazin-1-yl]pentyl]-[1,3]oxazolo[5,4-b]pyridin-2-one
PubChem CID3074816
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC Name1-[5-[4-(4-fluorophenyl)piperazin-1-yl]pentyl]-[1,3]oxazolo[5,4-b]pyridin-2-one
SMILESO=c1oc2ncccc2n1CCCCCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H25FN4O2/c22-17-6-8-18(9-7-17)25-15-13-24(14-16-25)11-2-1-3-12-26-19-5-4-10-23-20(19)28-21(26)27/h4-10H,1-3,11-16H2
InChIKeyKIQKZVZZDVFWOL-UHFFFAOYSA-N
XLogP3.12
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
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 1-[5-[4-(4-fluorophenyl)piperazin-1-yl]pentyl]-[1,3]oxazolo[5,4-b]pyridin-2-one?
The IUPAC name of 1-[5-[4-(4-fluorophenyl)piperazin-1-yl]pentyl]-[1,3]oxazolo[5,4-b]pyridin-2-one (CID 3074816) is 1-[5-[4-(4-fluorophenyl)piperazin-1-yl]pentyl]-[1,3]oxazolo[5,4-b]pyridin-2-one.
What is the SMILES notation for 1-[5-[4-(4-fluorophenyl)piperazin-1-yl]pentyl]-[1,3]oxazolo[5,4-b]pyridin-2-one?
The canonical SMILES for 1-[5-[4-(4-fluorophenyl)piperazin-1-yl]pentyl]-[1,3]oxazolo[5,4-b]pyridin-2-one is O=c1oc2ncccc2n1CCCCCN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[5-[4-(4-fluorophenyl)piperazin-1-yl]pentyl]-[1,3]oxazolo[5,4-b]pyridin-2-one?
The InChIKey is KIQKZVZZDVFWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2/c22-17-6-8-18(9-7-17)25-15-13-24(14-16-25)11-2-1-3-12-26-19-5-4-10-23-20(19)28-21(26)27/h4-10H,1-3,11-16H2.
What are the key properties of 1-[5-[4-(4-fluorophenyl)piperazin-1-yl]pentyl]-[1,3]oxazolo[5,4-b]pyridin-2-one?
1-[5-[4-(4-fluorophenyl)piperazin-1-yl]pentyl]-[1,3]oxazolo[5,4-b]pyridin-2-one has a molecular weight of 384.46 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 1-[5-[4-(4-fluorophenyl)piperazin-1-yl]pentyl]-[1,3]oxazolo[5,4-b]pyridin-2-one is sourced from PubChem (CID 3074816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).