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

C25H25N5O2 — CID 90493470

IUPAC[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCc1nc(-c2ccc(C(=O)N3CCC(Cn4ccnc4-c4ccccc4)CC3)cc2)no1
InChIInChI=1S/C25H25N5O2/c1-18-27-23(28-32-18)20-7-9-22(10-8-20)25(31)29-14-11-19(12-15-29)17-30-16-13-26-24(30)21-5-3-2-4-6-21/h2-10,13,16,19H,11-12,14-15,17H2,1H3
InChIKeyFWYSTWUHLICMRV-UHFFFAOYSA-N
MW427.51 g/mol
LogP4.46
Rot. Bonds5

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

[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone (PubChem CID 90493470) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone
PubChem CID90493470
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCc1nc(-c2ccc(C(=O)N3CCC(Cn4ccnc4-c4ccccc4)CC3)cc2)no1
InChIInChI=1S/C25H25N5O2/c1-18-27-23(28-32-18)20-7-9-22(10-8-20)25(31)29-14-11-19(12-15-29)17-30-16-13-26-24(30)21-5-3-2-4-6-21/h2-10,13,16,19H,11-12,14-15,17H2,1H3
InChIKeyFWYSTWUHLICMRV-UHFFFAOYSA-N
XLogP4.46
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 90492944
(2-ethoxyphenyl)-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90492963
N-methyl-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494467
[3-(2-methylpropoxy)phenyl]-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90493030
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 53015117
2-methyl-6-[4-[(2-phenylimidazol-1-yl)methyl]piperidine-1-carbonyl]pyridazin-3-one
CID 71781081
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-piperidin-1-ylmethanone
CID 53004915
N-[2-oxo-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]ethyl]benzamide
CID 90492929
[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 50806800
1-(4-chlorophenyl)-4-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]butane-1,4-dione
CID 90492938
1-adamantyl-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90493512
3-(4-methoxyphenyl)-1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 90493537

Frequently Asked Questions

What is the IUPAC name of [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone (CID 90493470) is [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone is Cc1nc(-c2ccc(C(=O)N3CCC(Cn4ccnc4-c4ccccc4)CC3)cc2)no1.
What is the InChIKey of [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is FWYSTWUHLICMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-18-27-23(28-32-18)20-7-9-22(10-8-20)25(31)29-14-11-19(12-15-29)17-30-16-13-26-24(30)21-5-3-2-4-6-21/h2-10,13,16,19H,11-12,14-15,17H2,1H3.
What are the key properties of [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 427.51 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 90493470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).