[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone

C26H24FN3O4 — CID 129453418

IUPAC[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
SMILESCOc1ccccc1Cc1cnc([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3F)no2)o1
InChIInChI=1S/C26H24FN3O4/c1-32-23-12-5-2-8-17(23)14-18-16-28-25(33-18)22-11-6-7-13-30(22)26(31)24-15-21(29-34-24)19-9-3-4-10-20(19)27/h2-5,8-10,12,15-16,22H,6-7,11,13-14H2,1H3/t22-/m0/s1
InChIKeyAODVYKHBOQUVGF-QFIPXVFZSA-N
MW461.49 g/mol
LogP5.44
Rot. Bonds6

About [3-(2-fluorophenyl)-1,2-oxazol-5-yl]-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone

[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone (PubChem CID 129453418) has the molecular formula C26H24FN3O4 and a molecular weight of 461.49 g/mol. Its IUPAC name is [3-(2-fluorophenyl)-1,2-oxazol-5-yl]-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
PubChem CID129453418
Molecular FormulaC26H24FN3O4
Molecular Weight461.49 g/mol
Exact Mass461.18
IUPAC Name[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
SMILESCOc1ccccc1Cc1cnc([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3F)no2)o1
InChIInChI=1S/C26H24FN3O4/c1-32-23-12-5-2-8-17(23)14-18-16-28-25(33-18)22-11-6-7-13-30(22)26(31)24-15-21(29-34-24)19-9-3-4-10-20(19)27/h2-5,8-10,12,15-16,22H,6-7,11,13-14H2,1H3/t22-/m0/s1
InChIKeyAODVYKHBOQUVGF-QFIPXVFZSA-N
XLogP5.44
TPSA81.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.49
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methanone
CID 110075989
2-(2-fluorophenoxy)-1-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 129457982
[(2R)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanone
CID 124947499
[2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanone
CID 110120704
[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 132779752
[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 132779716
[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 125023310
[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 124967922
2-[(2-fluorophenyl)methyl-methylamino]-1-[(2R)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 129458192
1-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-phenoxyethanone
CID 129454193
(6-fluoro-1H-indol-2-yl)-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 124958984
[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 129453951

Frequently Asked Questions

What is the IUPAC name of [3-(2-fluorophenyl)-1,2-oxazol-5-yl]-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of [3-(2-fluorophenyl)-1,2-oxazol-5-yl]-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone (CID 129453418) is [3-(2-fluorophenyl)-1,2-oxazol-5-yl]-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [3-(2-fluorophenyl)-1,2-oxazol-5-yl]-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for [3-(2-fluorophenyl)-1,2-oxazol-5-yl]-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone is COc1ccccc1Cc1cnc([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3F)no2)o1.
What is the InChIKey of [3-(2-fluorophenyl)-1,2-oxazol-5-yl]-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is AODVYKHBOQUVGF-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H24FN3O4/c1-32-23-12-5-2-8-17(23)14-18-16-28-25(33-18)22-11-6-7-13-30(22)26(31)24-15-21(29-34-24)19-9-3-4-10-20(19)27/h2-5,8-10,12,15-16,22H,6-7,11,13-14H2,1H3/t22-/m0/s1.
What are the key properties of [3-(2-fluorophenyl)-1,2-oxazol-5-yl]-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 461.49 g/mol, XLogP of 5.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluorophenyl)-1,2-oxazol-5-yl]-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 129453418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).