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

C26H24FN3O4 — CID 110121100

IUPAC[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methanone
SMILESCOc1cccc(-c2cc(C(=O)N3CCCCC3c3ncc(Cc4cccc(F)c4)o3)on2)c1
InChIInChI=1S/C26H24FN3O4/c1-32-20-9-5-7-18(14-20)22-15-24(34-29-22)26(31)30-11-3-2-10-23(30)25-28-16-21(33-25)13-17-6-4-8-19(27)12-17/h4-9,12,14-16,23H,2-3,10-11,13H2,1H3
InChIKeyUTNCNKUSENDOHX-UHFFFAOYSA-N
MW461.49 g/mol
LogP5.44
Rot. Bonds6

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

[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methanone (PubChem CID 110121100) has the molecular formula C26H24FN3O4 and a molecular weight of 461.49 g/mol. Its IUPAC name is [2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methanone.

Molecular Properties

Compound Name[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methanone
PubChem CID110121100
Molecular FormulaC26H24FN3O4
Molecular Weight461.49 g/mol
Exact Mass461.18
IUPAC Name[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methanone
SMILESCOc1cccc(-c2cc(C(=O)N3CCCCC3c3ncc(Cc4cccc(F)c4)o3)on2)c1
InChIInChI=1S/C26H24FN3O4/c1-32-20-9-5-7-18(14-20)22-15-24(34-29-22)26(31)30-11-3-2-10-23(30)25-28-16-21(33-25)13-17-6-4-8-19(27)12-17/h4-9,12,14-16,23H,2-3,10-11,13H2,1H3
InChIKeyUTNCNKUSENDOHX-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
[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 132779752
[2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanone
CID 110120704
[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methanone
CID 110075989
[(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
1-[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 110119429
[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrimidin-2-ylmethanone
CID 124987507
[(3R)-3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methanone
CID 124975249
[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 46472002
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

Frequently Asked Questions

What is the IUPAC name of [2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methanone?
The IUPAC name of [2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methanone (CID 110121100) is [2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methanone.
What is the SMILES notation for [2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methanone?
The canonical SMILES for [2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methanone is COc1cccc(-c2cc(C(=O)N3CCCCC3c3ncc(Cc4cccc(F)c4)o3)on2)c1.
What is the InChIKey of [2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methanone?
The InChIKey is UTNCNKUSENDOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O4/c1-32-20-9-5-7-18(14-20)22-15-24(34-29-22)26(31)30-11-3-2-10-23(30)25-28-16-21(33-25)13-17-6-4-8-19(27)12-17/h4-9,12,14-16,23H,2-3,10-11,13H2,1H3.
What are the key properties of [2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methanone?
[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(3-methoxyphenyl)-1,2-oxazol-5-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 [2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methanone is sourced from PubChem (CID 110121100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).