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

C20H23FN4O2 — CID 3074815

IUPAC1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-[1,3]oxazolo[5,4-b]pyridin-2-one
SMILESO=c1oc2ncccc2n1CCCCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H23FN4O2/c21-16-5-7-17(8-6-16)24-14-12-23(13-15-24)10-1-2-11-25-18-4-3-9-22-19(18)27-20(25)26/h3-9H,1-2,10-15H2
InChIKeyNWWIANVERZWOLK-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.73
Rot. Bonds6

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

1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-[1,3]oxazolo[5,4-b]pyridin-2-one (PubChem CID 3074815) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is 1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-[1,3]oxazolo[5,4-b]pyridin-2-one.

Molecular Properties

Compound Name1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-[1,3]oxazolo[5,4-b]pyridin-2-one
PubChem CID3074815
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC Name1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-[1,3]oxazolo[5,4-b]pyridin-2-one
SMILESO=c1oc2ncccc2n1CCCCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H23FN4O2/c21-16-5-7-17(8-6-16)24-14-12-23(13-15-24)10-1-2-11-25-18-4-3-9-22-19(18)27-20(25)26/h3-9H,1-2,10-15H2
InChIKeyNWWIANVERZWOLK-UHFFFAOYSA-N
XLogP2.73
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.73
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-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-[1,3]oxazolo[5,4-b]pyridin-2-one?
The IUPAC name of 1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-[1,3]oxazolo[5,4-b]pyridin-2-one (CID 3074815) is 1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-[1,3]oxazolo[5,4-b]pyridin-2-one.
What is the SMILES notation for 1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-[1,3]oxazolo[5,4-b]pyridin-2-one?
The canonical SMILES for 1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-[1,3]oxazolo[5,4-b]pyridin-2-one is O=c1oc2ncccc2n1CCCCN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-[1,3]oxazolo[5,4-b]pyridin-2-one?
The InChIKey is NWWIANVERZWOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2/c21-16-5-7-17(8-6-16)24-14-12-23(13-15-24)10-1-2-11-25-18-4-3-9-22-19(18)27-20(25)26/h3-9H,1-2,10-15H2.
What are the key properties of 1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-[1,3]oxazolo[5,4-b]pyridin-2-one?
1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-[1,3]oxazolo[5,4-b]pyridin-2-one has a molecular weight of 370.43 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-[1,3]oxazolo[5,4-b]pyridin-2-one is sourced from PubChem (CID 3074815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).