4-[[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole

C19H19ClFN3OS — CID 46807668

IUPAC4-[[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
SMILESFc1cccc(Cl)c1CN1CCN(Cc2coc(-c3cccs3)n2)CC1
InChIInChI=1S/C19H19ClFN3OS/c20-16-3-1-4-17(21)15(16)12-24-8-6-23(7-9-24)11-14-13-25-19(22-14)18-5-2-10-26-18/h1-5,10,13H,6-9,11-12H2
InChIKeyRPYZJIHGMXFXMR-UHFFFAOYSA-N
MW391.90 g/mol
LogP4.51
Rot. Bonds5

About 4-[[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole

4-[[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole (PubChem CID 46807668) has the molecular formula C19H19ClFN3OS and a molecular weight of 391.90 g/mol. Its IUPAC name is 4-[[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-[[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
PubChem CID46807668
Molecular FormulaC19H19ClFN3OS
Molecular Weight391.90 g/mol
Exact Mass391.09
IUPAC Name4-[[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
SMILESFc1cccc(Cl)c1CN1CCN(Cc2coc(-c3cccs3)n2)CC1
InChIInChI=1S/C19H19ClFN3OS/c20-16-3-1-4-17(21)15(16)12-24-8-6-23(7-9-24)11-14-13-25-19(22-14)18-5-2-10-26-18/h1-5,10,13H,6-9,11-12H2
InChIKeyRPYZJIHGMXFXMR-UHFFFAOYSA-N
XLogP4.51
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole with MolForge

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Related Compounds

3-[[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
CID 55464559
N-(2-chlorophenyl)-2-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]acetamide
CID 9117427
4-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
CID 134011279
N-(cyclopropylmethyl)-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine
CID 119926543
1-[3-fluoro-4-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]phenyl]ethanone
CID 26384632
1-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride
CID 119920709
2-morpholin-4-yl-1-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 29484382
1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-amine
CID 61295934
4-(chloromethyl)-2-thiophen-2-yl-1,3-oxazole
CID 2529531
4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-(2,6-difluorophenyl)-1,3-oxazole
CID 136517268
1-[(2-chloro-6-fluorophenyl)methyl]-2-thiophen-2-ylimidazole
CID 115917911
4-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
CID 9116647

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole?
The IUPAC name of 4-[[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole (CID 46807668) is 4-[[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole.
What is the SMILES notation for 4-[[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole?
The canonical SMILES for 4-[[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole is Fc1cccc(Cl)c1CN1CCN(Cc2coc(-c3cccs3)n2)CC1.
What is the InChIKey of 4-[[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole?
The InChIKey is RPYZJIHGMXFXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN3OS/c20-16-3-1-4-17(21)15(16)12-24-8-6-23(7-9-24)11-14-13-25-19(22-14)18-5-2-10-26-18/h1-5,10,13H,6-9,11-12H2.
What are the key properties of 4-[[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole?
4-[[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole has a molecular weight of 391.90 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole is sourced from PubChem (CID 46807668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).