[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone

C25H24FN5O2 — CID 67158401

IUPAC[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
SMILESCc1noc(-c2ccccc2C(=O)N2CCCCC2Cc2ncc(-c3ccc(F)cc3)[nH]2)n1
InChIInChI=1S/C25H24FN5O2/c1-16-28-24(33-30-16)20-7-2-3-8-21(20)25(32)31-13-5-4-6-19(31)14-23-27-15-22(29-23)17-9-11-18(26)12-10-17/h2-3,7-12,15,19H,4-6,13-14H2,1H3,(H,27,29)
InChIKeyBZVDRLKGOKNTPT-UHFFFAOYSA-N
MW445.50 g/mol
LogP4.81
Rot. Bonds5

About [2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone

[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone (PubChem CID 67158401) has the molecular formula C25H24FN5O2 and a molecular weight of 445.50 g/mol. Its IUPAC name is [2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone.

Molecular Properties

Compound Name[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
PubChem CID67158401
Molecular FormulaC25H24FN5O2
Molecular Weight445.50 g/mol
Exact Mass445.19
IUPAC Name[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
SMILESCc1noc(-c2ccccc2C(=O)N2CCCCC2Cc2ncc(-c3ccc(F)cc3)[nH]2)n1
InChIInChI=1S/C25H24FN5O2/c1-16-28-24(33-30-16)20-7-2-3-8-21(20)25(32)31-13-5-4-6-19(31)14-23-27-15-22(29-23)17-9-11-18(26)12-10-17/h2-3,7-12,15,19H,4-6,13-14H2,1H3,(H,27,29)
InChIKeyBZVDRLKGOKNTPT-UHFFFAOYSA-N
XLogP4.81
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 67158229
[(2S)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 67158358
[(2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
CID 67159001
tert-butyl 2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidine-1-carboxylate
CID 91219511
[(2R)-2-ethylpiperidin-1-yl]-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methanone
CID 2034209
[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone
CID 67157832
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone
CID 46957283
[2-(2-hydroxyethyl)piperidin-1-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
CID 110886981
1-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]isoquinoline-3-carbaldehyde
CID 87290407
(3-hydroxypiperidin-1-yl)-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
CID 111462892
[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperazin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 67158479
[2-[6-methyl-5-(3-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
CID 123215405

Frequently Asked Questions

What is the IUPAC name of [2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone?
The IUPAC name of [2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone (CID 67158401) is [2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone.
What is the SMILES notation for [2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone?
The canonical SMILES for [2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone is Cc1noc(-c2ccccc2C(=O)N2CCCCC2Cc2ncc(-c3ccc(F)cc3)[nH]2)n1.
What is the InChIKey of [2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone?
The InChIKey is BZVDRLKGOKNTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O2/c1-16-28-24(33-30-16)20-7-2-3-8-21(20)25(32)31-13-5-4-6-19(31)14-23-27-15-22(29-23)17-9-11-18(26)12-10-17/h2-3,7-12,15,19H,4-6,13-14H2,1H3,(H,27,29).
What are the key properties of [2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone?
[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone has a molecular weight of 445.50 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone is sourced from PubChem (CID 67158401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).