[1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazol-4-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone

C27H31N7O2 — CID 53489733

IUPAC[1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazol-4-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
SMILESCc1ccc(C)c(N2CCN(C(=O)c3cn(-c4cc(-c5nc(C(C)(C)C)no5)ccn4)cn3)CC2)c1
InChIInChI=1S/C27H31N7O2/c1-18-6-7-19(2)22(14-18)32-10-12-33(13-11-32)25(35)21-16-34(17-29-21)23-15-20(8-9-28-23)24-30-26(31-36-24)27(3,4)5/h6-9,14-17H,10-13H2,1-5H3
InChIKeyFXBVPXUZCFBXTN-UHFFFAOYSA-N
MW485.59 g/mol
LogP4.19
Rot. Bonds4

About [1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazol-4-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone

[1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazol-4-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone (PubChem CID 53489733) has the molecular formula C27H31N7O2 and a molecular weight of 485.59 g/mol. Its IUPAC name is [1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazol-4-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazol-4-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
PubChem CID53489733
Molecular FormulaC27H31N7O2
Molecular Weight485.59 g/mol
Exact Mass485.25
IUPAC Name[1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazol-4-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
SMILESCc1ccc(C)c(N2CCN(C(=O)c3cn(-c4cc(-c5nc(C(C)(C)C)no5)ccn4)cn3)CC2)c1
InChIInChI=1S/C27H31N7O2/c1-18-6-7-19(2)22(14-18)32-10-12-33(13-11-32)25(35)21-16-34(17-29-21)23-15-20(8-9-28-23)24-30-26(31-36-24)27(3,4)5/h6-9,14-17H,10-13H2,1-5H3
InChIKeyFXBVPXUZCFBXTN-UHFFFAOYSA-N
XLogP4.19
TPSA93.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-cyclopropylimidazole-4-carboxamide
CID 53178733
[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazol-4-yl]-morpholin-4-ylmethanone
CID 53178647
[1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazol-4-yl]-thiomorpholin-4-ylmethanone
CID 53178781
[1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazol-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 53178882
1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1R)-1-phenylethyl]imidazole-4-carboxamide
CID 95104411
1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(4-fluorophenyl)methyl]imidazole-4-carboxamide
CID 53489889
1-[4-[1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazole-4-carbonyl]piperazin-1-yl]ethanone
CID 53179060
1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]imidazole-4-carboxamide
CID 95104412
1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(4-propan-2-ylphenyl)methyl]imidazole-4-carboxamide
CID 53489878
[1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazol-4-yl]-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 53489754
[1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazol-4-yl]-morpholin-4-ylmethanone
CID 53179056
1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazole-4-carboxylic acid
CID 56766811

Frequently Asked Questions

What is the IUPAC name of [1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazol-4-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone?
The IUPAC name of [1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazol-4-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone (CID 53489733) is [1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazol-4-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazol-4-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazol-4-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone is Cc1ccc(C)c(N2CCN(C(=O)c3cn(-c4cc(-c5nc(C(C)(C)C)no5)ccn4)cn3)CC2)c1.
What is the InChIKey of [1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazol-4-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone?
The InChIKey is FXBVPXUZCFBXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O2/c1-18-6-7-19(2)22(14-18)32-10-12-33(13-11-32)25(35)21-16-34(17-29-21)23-15-20(8-9-28-23)24-30-26(31-36-24)27(3,4)5/h6-9,14-17H,10-13H2,1-5H3.
What are the key properties of [1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazol-4-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone?
[1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazol-4-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone has a molecular weight of 485.59 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazol-4-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 53489733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).