N-[2-(4-fluorophenyl)ethyl]-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-3-carboxamide

C20H21FN4O2 — CID 134792125

IUPACN-[2-(4-fluorophenyl)ethyl]-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-3-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)C1CCCN(c2nc3ncccc3o2)C1
InChIInChI=1S/C20H21FN4O2/c21-16-7-5-14(6-8-16)9-11-23-19(26)15-3-2-12-25(13-15)20-24-18-17(27-20)4-1-10-22-18/h1,4-8,10,15H,2-3,9,11-13H2,(H,23,26)
InChIKeyRUNSZYOSKOYANV-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.94
Rot. Bonds5

About N-[2-(4-fluorophenyl)ethyl]-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-3-carboxamide

N-[2-(4-fluorophenyl)ethyl]-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-3-carboxamide (PubChem CID 134792125) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-3-carboxamide
PubChem CID134792125
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-3-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)C1CCCN(c2nc3ncccc3o2)C1
InChIInChI=1S/C20H21FN4O2/c21-16-7-5-14(6-8-16)9-11-23-19(26)15-3-2-12-25(13-15)20-24-18-17(27-20)4-1-10-22-18/h1,4-8,10,15H,2-3,9,11-13H2,(H,23,26)
InChIKeyRUNSZYOSKOYANV-UHFFFAOYSA-N
XLogP2.94
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 134794435
1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-N-(2-phenoxyethyl)piperidine-3-carboxamide
CID 134791749
N-[2-(4-fluorophenyl)ethyl]-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 16675747
N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221429
N-[2-(4-methoxyphenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3223369
1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 134800218
N-[(3-fluorophenyl)methyl]-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carboxamide
CID 134793193
2-(4-fluorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone
CID 46270777
2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 154823410
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetamide
CID 154568639
N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetamide
CID 155503397
(3S)-N-[2-(4-fluorophenyl)ethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 9210573

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-3-carboxamide (CID 134792125) is N-[2-(4-fluorophenyl)ethyl]-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-3-carboxamide is O=C(NCCc1ccc(F)cc1)C1CCCN(c2nc3ncccc3o2)C1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-3-carboxamide?
The InChIKey is RUNSZYOSKOYANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c21-16-7-5-14(6-8-16)9-11-23-19(26)15-3-2-12-25(13-15)20-24-18-17(27-20)4-1-10-22-18/h1,4-8,10,15H,2-3,9,11-13H2,(H,23,26).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-3-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-3-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 134792125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).