[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone

C26H24FN3O4 — CID 132779752

IUPAC[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
SMILESCOc1cccc(Cc2cnc(C3CCCCN3C(=O)c3cc(-c4ccc(F)cc4)no3)o2)c1
InChIInChI=1S/C26H24FN3O4/c1-32-20-6-4-5-17(13-20)14-21-16-28-25(33-21)23-7-2-3-12-30(23)26(31)24-15-22(29-34-24)18-8-10-19(27)11-9-18/h4-6,8-11,13,15-16,23H,2-3,7,12,14H2,1H3
InChIKeyDQLMBYQSVMTWRN-UHFFFAOYSA-N
MW461.49 g/mol
LogP5.44
Rot. Bonds6

About [3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone

[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone (PubChem CID 132779752) has the molecular formula C26H24FN3O4 and a molecular weight of 461.49 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
PubChem CID132779752
Molecular FormulaC26H24FN3O4
Molecular Weight461.49 g/mol
Exact Mass461.18
IUPAC Name[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
SMILESCOc1cccc(Cc2cnc(C3CCCCN3C(=O)c3cc(-c4ccc(F)cc4)no3)o2)c1
InChIInChI=1S/C26H24FN3O4/c1-32-20-6-4-5-17(13-20)14-21-16-28-25(33-21)23-7-2-3-12-30(23)26(31)24-15-22(29-34-24)18-8-10-19(27)11-9-18/h4-6,8-11,13,15-16,23H,2-3,7,12,14H2,1H3
InChIKeyDQLMBYQSVMTWRN-UHFFFAOYSA-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-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methanone
CID 132780071
[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methanone
CID 110121100
[2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanone
CID 110120704
[(2S)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanone
CID 125023702
[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[(3S)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 129457126
[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 132779716
[(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-(3-methoxyphenyl)-1-[(2R)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 125022669
[(2R)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridazin-4-ylmethanone
CID 124999070
[(2S)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridazin-4-ylmethanone
CID 124999069
[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 125007448
1-[2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 110121360

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of [3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone (CID 132779752) is [3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for [3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone is COc1cccc(Cc2cnc(C3CCCCN3C(=O)c3cc(-c4ccc(F)cc4)no3)o2)c1.
What is the InChIKey of [3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is DQLMBYQSVMTWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O4/c1-32-20-6-4-5-17(13-20)14-21-16-28-25(33-21)23-7-2-3-12-30(23)26(31)24-15-22(29-34-24)18-8-10-19(27)11-9-18/h4-6,8-11,13,15-16,23H,2-3,7,12,14H2,1H3.
What are the key properties of [3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[2-[5-[(3-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-(4-fluorophenyl)-1,2-oxazol-5-yl]-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 132779752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).