About [4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone (PubChem CID 19442323) has the molecular formula C22H25ClFN5O2
and a molecular weight of 445.93 g/mol. Its IUPAC name is [4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone.
Molecular Properties
| Compound Name | [4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone |
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| PubChem CID | 19442323 |
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| Molecular Formula | C22H25ClFN5O2 |
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| Molecular Weight | 445.93 g/mol |
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| Exact Mass | 445.17 |
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| IUPAC Name | [4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone |
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| SMILES | Cc1nn(Cc2c(C(=O)N3CCN(Cc4ccccc4F)CC3)noc2C)c(C)c1Cl |
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| InChI | InChI=1S/C22H25ClFN5O2/c1-14-20(23)15(2)29(25-14)13-18-16(3)31-26-21(18)22(30)28-10-8-27(9-11-28)12-17-6-4-5-7-19(17)24/h4-7H,8-13H2,1-3H3 |
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| InChIKey | CZLIOIQJHGMTJQ-UHFFFAOYSA-N |
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| XLogP | 3.60 |
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| TPSA | 67.40 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 31 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 445.93 |
| LogP ≤ 5 | 3.60 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze [4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone with MolForge
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Frequently Asked Questions
What is the IUPAC name of [4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone (CID 19442323) is [4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone is Cc1nn(Cc2c(C(=O)N3CCN(Cc4ccccc4F)CC3)noc2C)c(C)c1Cl.
What is the InChIKey of [4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is CZLIOIQJHGMTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClFN5O2/c1-14-20(23)15(2)29(25-14)13-18-16(3)31-26-21(18)22(30)28-10-8-27(9-11-28)12-17-6-4-5-7-19(17)24/h4-7H,8-13H2,1-3H3.
What are the key properties of [4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone?
[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 445.93 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 19442323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).