3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-5-(4-fluorophenyl)-4-methyl-1,2-oxazole

C24H28FN3O3 — CID 8872440

IUPAC3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-5-(4-fluorophenyl)-4-methyl-1,2-oxazole
SMILESCOc1ccc(CN2CCN(Cc3noc(-c4ccc(F)cc4)c3C)CC2)cc1OC
InChIInChI=1S/C24H28FN3O3/c1-17-21(26-31-24(17)19-5-7-20(25)8-6-19)16-28-12-10-27(11-13-28)15-18-4-9-22(29-2)23(14-18)30-3/h4-9,14H,10-13,15-16H2,1-3H3
InChIKeyHQGIPOOAELJSRV-UHFFFAOYSA-N
MW425.50 g/mol
LogP4.12
Rot. Bonds7

About 3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-5-(4-fluorophenyl)-4-methyl-1,2-oxazole

3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-5-(4-fluorophenyl)-4-methyl-1,2-oxazole (PubChem CID 8872440) has the molecular formula C24H28FN3O3 and a molecular weight of 425.50 g/mol. Its IUPAC name is 3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-5-(4-fluorophenyl)-4-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-5-(4-fluorophenyl)-4-methyl-1,2-oxazole
PubChem CID8872440
Molecular FormulaC24H28FN3O3
Molecular Weight425.50 g/mol
Exact Mass425.21
IUPAC Name3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-5-(4-fluorophenyl)-4-methyl-1,2-oxazole
SMILESCOc1ccc(CN2CCN(Cc3noc(-c4ccc(F)cc4)c3C)CC2)cc1OC
InChIInChI=1S/C24H28FN3O3/c1-17-21(26-31-24(17)19-5-7-20(25)8-6-19)16-28-12-10-27(11-13-28)15-18-4-9-22(29-2)23(14-18)30-3/h4-9,14H,10-13,15-16H2,1-3H3
InChIKeyHQGIPOOAELJSRV-UHFFFAOYSA-N
XLogP4.12
TPSA50.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-5-(4-fluorophenyl)-4-methyl-1,2-oxazole with MolForge

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Related Compounds

3-(4-chlorophenyl)-5-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 30729741
1-[(4-fluorophenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
CID 1126262
1-[(3,4-dimethoxyphenyl)methyl]-4-propan-2-ylpiperazine
CID 764481
2-(4-chlorophenyl)-5-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 55381888
1-[(4-fluorophenyl)methyl]-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine;oxalic acid
CID 90483788
3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
CID 8871816
2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetonitrile
CID 60677001
1-butyl-4-[(3,4-dimethoxyphenyl)methyl]piperazine
CID 174368866
5-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-3-(4-methoxyphenyl)-1,2-oxazole
CID 24617569
3-[[4-[(4-methoxy-3-methylsulfanylphenyl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 75438453
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 17409724
1-[(4-fluorophenyl)methylsulfonyl]-4-[(4-methoxy-3-methylphenyl)methyl]piperazine
CID 110399335

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-5-(4-fluorophenyl)-4-methyl-1,2-oxazole?
The IUPAC name of 3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-5-(4-fluorophenyl)-4-methyl-1,2-oxazole (CID 8872440) is 3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-5-(4-fluorophenyl)-4-methyl-1,2-oxazole.
What is the SMILES notation for 3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-5-(4-fluorophenyl)-4-methyl-1,2-oxazole?
The canonical SMILES for 3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-5-(4-fluorophenyl)-4-methyl-1,2-oxazole is COc1ccc(CN2CCN(Cc3noc(-c4ccc(F)cc4)c3C)CC2)cc1OC.
What is the InChIKey of 3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-5-(4-fluorophenyl)-4-methyl-1,2-oxazole?
The InChIKey is HQGIPOOAELJSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O3/c1-17-21(26-31-24(17)19-5-7-20(25)8-6-19)16-28-12-10-27(11-13-28)15-18-4-9-22(29-2)23(14-18)30-3/h4-9,14H,10-13,15-16H2,1-3H3.
What are the key properties of 3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-5-(4-fluorophenyl)-4-methyl-1,2-oxazole?
3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-5-(4-fluorophenyl)-4-methyl-1,2-oxazole has a molecular weight of 425.50 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-5-(4-fluorophenyl)-4-methyl-1,2-oxazole is sourced from PubChem (CID 8872440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).