7-[[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C21H20ClN5O2S — CID 112798926

IUPAC7-[[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CN2CCN(Cc3ncc(-c4ccc(Cl)cc4)o3)CC2)nc2sccn12
InChIInChI=1S/C21H20ClN5O2S/c22-16-3-1-15(2-4-16)18-12-23-19(29-18)14-26-7-5-25(6-8-26)13-17-11-20(28)27-9-10-30-21(27)24-17/h1-4,9-12H,5-8,13-14H2
InChIKeyHCKFIHUVSAUECH-UHFFFAOYSA-N
MW441.94 g/mol
LogP3.38
Rot. Bonds5

About 7-[[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 112798926) has the molecular formula C21H20ClN5O2S and a molecular weight of 441.94 g/mol. Its IUPAC name is 7-[[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID112798926
Molecular FormulaC21H20ClN5O2S
Molecular Weight441.94 g/mol
Exact Mass441.10
IUPAC Name7-[[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CN2CCN(Cc3ncc(-c4ccc(Cl)cc4)o3)CC2)nc2sccn12
InChIInChI=1S/C21H20ClN5O2S/c22-16-3-1-15(2-4-16)18-12-23-19(29-18)14-26-7-5-25(6-8-26)13-17-11-20(28)27-9-10-30-21(27)24-17/h1-4,9-12H,5-8,13-14H2
InChIKeyHCKFIHUVSAUECH-UHFFFAOYSA-N
XLogP3.38
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.94
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-[[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one with MolForge

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Related Compounds

2-Oxazolemethanamine, 5-(4-chlorophenyl)-N,N-diethyl-, hydrochloride, hydrate (2:2:1)
CID 3049291
3-[5-(4-Chlorophenyl)-1,3-oxazol-2-yl]-1-morpholin-4-ylpropan-1-one
CID 29418763
1-({[5-(4-Chlorophenyl)-1,3-oxazol-2-yl]thio}acetyl)-4-(4-fluorophenyl)piperazine
CID 41915536
2-[[5-(4-Chlorophenyl)-1,3-oxazol-2-yl]methyl-cyclopentylamino]acetamide
CID 53513311
5-(4-Chlorophenyl)-2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazole
CID 8464988
4-[[5-(4-Chlorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-2-one
CID 8547828
5-(4-Chlorophenyl)-2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazole
CID 17514339
1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N,N-dimethylmethanamine
CID 3049273
N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-ethylethanamine
CID 3049292
2-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 172688242
2-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-4-(difluoromethyl)-1H-pyrimidin-6-one
CID 172729743
2-[[5-(2,3-dichlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 172737843

Frequently Asked Questions

What is the IUPAC name of 7-[[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 112798926) is 7-[[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1cc(CN2CCN(Cc3ncc(-c4ccc(Cl)cc4)o3)CC2)nc2sccn12.
What is the InChIKey of 7-[[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is HCKFIHUVSAUECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O2S/c22-16-3-1-15(2-4-16)18-12-23-19(29-18)14-26-7-5-25(6-8-26)13-17-11-20(28)27-9-10-30-21(27)24-17/h1-4,9-12H,5-8,13-14H2.
What are the key properties of 7-[[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 441.94 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 112798926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).