[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-(2-methylsulfanyl-3-phenylimidazol-4-yl)methanone

C20H23N5O2S — CID 39979323

IUPAC[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-(2-methylsulfanyl-3-phenylimidazol-4-yl)methanone
SMILESCSc1ncc(C(=O)N2CCN(Cc3cc(C)no3)CC2)n1-c1ccccc1
InChIInChI=1S/C20H23N5O2S/c1-15-12-17(27-22-15)14-23-8-10-24(11-9-23)19(26)18-13-21-20(28-2)25(18)16-6-4-3-5-7-16/h3-7,12-13H,8-11,14H2,1-2H3
InChIKeyORAFRHYRVIZQMN-UHFFFAOYSA-N
MW397.50 g/mol
LogP2.85
Rot. Bonds5

About [4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-(2-methylsulfanyl-3-phenylimidazol-4-yl)methanone

[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-(2-methylsulfanyl-3-phenylimidazol-4-yl)methanone (PubChem CID 39979323) has the molecular formula C20H23N5O2S and a molecular weight of 397.50 g/mol. Its IUPAC name is [4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-(2-methylsulfanyl-3-phenylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-(2-methylsulfanyl-3-phenylimidazol-4-yl)methanone
PubChem CID39979323
Molecular FormulaC20H23N5O2S
Molecular Weight397.50 g/mol
Exact Mass397.16
IUPAC Name[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-(2-methylsulfanyl-3-phenylimidazol-4-yl)methanone
SMILESCSc1ncc(C(=O)N2CCN(Cc3cc(C)no3)CC2)n1-c1ccccc1
InChIInChI=1S/C20H23N5O2S/c1-15-12-17(27-22-15)14-23-8-10-24(11-9-23)19(26)18-13-21-20(28-2)25(18)16-6-4-3-5-7-16/h3-7,12-13H,8-11,14H2,1-2H3
InChIKeyORAFRHYRVIZQMN-UHFFFAOYSA-N
XLogP2.85
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-methylsulfanyl-3-phenylimidazol-4-yl)methanone
CID 17463018
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-quinoxalin-2-ylmethanone
CID 46419065
N-(2-chlorophenyl)-2-[4-(2-methylsulfanyl-3-phenylimidazole-4-carbonyl)piperazin-1-yl]acetamide
CID 17471181
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 51269605
(2-methoxyphenyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 34555816
(2-methylsulfanyl-3-phenylimidazol-4-yl)-(4-phenoxypiperidin-1-yl)methanone
CID 86833858
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone
CID 95140275
(3-aminophenyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 119399318
[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methylsulfanyl-3-phenylimidazol-4-yl)methanone
CID 31060141
(3,4-dichlorophenyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 51269599
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 134063596
(5-bromo-2-hydroxyphenyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 51269631

Frequently Asked Questions

What is the IUPAC name of [4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-(2-methylsulfanyl-3-phenylimidazol-4-yl)methanone?
The IUPAC name of [4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-(2-methylsulfanyl-3-phenylimidazol-4-yl)methanone (CID 39979323) is [4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-(2-methylsulfanyl-3-phenylimidazol-4-yl)methanone.
What is the SMILES notation for [4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-(2-methylsulfanyl-3-phenylimidazol-4-yl)methanone?
The canonical SMILES for [4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-(2-methylsulfanyl-3-phenylimidazol-4-yl)methanone is CSc1ncc(C(=O)N2CCN(Cc3cc(C)no3)CC2)n1-c1ccccc1.
What is the InChIKey of [4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-(2-methylsulfanyl-3-phenylimidazol-4-yl)methanone?
The InChIKey is ORAFRHYRVIZQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2S/c1-15-12-17(27-22-15)14-23-8-10-24(11-9-23)19(26)18-13-21-20(28-2)25(18)16-6-4-3-5-7-16/h3-7,12-13H,8-11,14H2,1-2H3.
What are the key properties of [4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-(2-methylsulfanyl-3-phenylimidazol-4-yl)methanone?
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-(2-methylsulfanyl-3-phenylimidazol-4-yl)methanone has a molecular weight of 397.50 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-(2-methylsulfanyl-3-phenylimidazol-4-yl)methanone is sourced from PubChem (CID 39979323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).