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

C19H18FN3O3 — CID 155982468

IUPAC3-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESO=C(Cc1ccc(F)cc1)N1CCC(n2c(=O)oc3cccnc32)CC1
InChIInChI=1S/C19H18FN3O3/c20-14-5-3-13(4-6-14)12-17(24)22-10-7-15(8-11-22)23-18-16(26-19(23)25)2-1-9-21-18/h1-6,9,15H,7-8,10-12H2
InChIKeyCNTUKEACIIVITR-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.53
Rot. Bonds3

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

3-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 155982468) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is 3-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID155982468
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC Name3-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESO=C(Cc1ccc(F)cc1)N1CCC(n2c(=O)oc3cccnc32)CC1
InChIInChI=1S/C19H18FN3O3/c20-14-5-3-13(4-6-14)12-17(24)22-10-7-15(8-11-22)23-18-16(26-19(23)25)2-1-9-21-18/h1-6,9,15H,7-8,10-12H2
InChIKeyCNTUKEACIIVITR-UHFFFAOYSA-N
XLogP2.53
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-[1,3]oxazolo[4,5-b]pyridin-2-one with MolForge

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Related Compounds

2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]isoindole-1,3-dione
CID 113082521
2-(4-fluorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone
CID 46270777
2-(4-fluorophenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 110868488
2-(4-fluorophenyl)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 90617113
2-(4-fluorophenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone
CID 53151003
3-[2-oxo-2-[4-(2-oxo-1,3-benzoxazol-3-yl)piperidin-1-yl]ethyl]benzoic acid
CID 175101505
2-(4-fluorophenyl)-1-(4-pyrazin-2-yloxypiperidin-1-yl)ethanone
CID 90559036
1-(4-cyclopentylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone
CID 110708885
lithium 1-[2-(4-fluorophenyl)acetyl]piperidine-4-carboxylate
CID 21304004
2-(4-fluorophenyl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
CID 110868312
2-(4-fluorophenyl)-1-[4-[2-(4-fluorophenyl)acetyl]-1,4-diazepan-1-yl]ethanone
CID 110798689
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-4-ylethanone
CID 110697261

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of 3-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 155982468) is 3-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-[1,3]oxazolo[4,5-b]pyridin-2-one is O=C(Cc1ccc(F)cc1)N1CCC(n2c(=O)oc3cccnc32)CC1.
What is the InChIKey of 3-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is CNTUKEACIIVITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c20-14-5-3-13(4-6-14)12-17(24)22-10-7-15(8-11-22)23-18-16(26-19(23)25)2-1-9-21-18/h1-6,9,15H,7-8,10-12H2.
What are the key properties of 3-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
3-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 355.37 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 155982468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).