methyl 4-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]benzoate

C26H27Cl2N3O3 — CID 155401626

IUPACmethyl 4-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]benzoate
SMILESCOC(=O)c1ccc(N2CCN(CCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)CC2)cc1
InChIInChI=1S/C26H27Cl2N3O3/c1-33-26(32)18-7-9-19(10-8-18)31-15-13-30(14-16-31)12-11-20-24(29-34-25(20)17-5-6-17)23-21(27)3-2-4-22(23)28/h2-4,7-10,17H,5-6,11-16H2,1H3
InChIKeyFCAMUODFIUFBML-UHFFFAOYSA-N
MW500.43 g/mol
LogP5.68
Rot. Bonds7

About methyl 4-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]benzoate

methyl 4-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]benzoate (PubChem CID 155401626) has the molecular formula C26H27Cl2N3O3 and a molecular weight of 500.43 g/mol. Its IUPAC name is methyl 4-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]benzoate
PubChem CID155401626
Molecular FormulaC26H27Cl2N3O3
Molecular Weight500.43 g/mol
Exact Mass499.14
IUPAC Namemethyl 4-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]benzoate
SMILESCOC(=O)c1ccc(N2CCN(CCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)CC2)cc1
InChIInChI=1S/C26H27Cl2N3O3/c1-33-26(32)18-7-9-19(10-8-18)31-15-13-30(14-16-31)12-11-20-24(29-34-25(20)17-5-6-17)23-21(27)3-2-4-22(23)28/h2-4,7-10,17H,5-6,11-16H2,1H3
InChIKeyFCAMUODFIUFBML-UHFFFAOYSA-N
XLogP5.68
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.43
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1,3-benzothiazole-6-carboxylate
CID 164823173
2-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1,3-benzothiazole-6-carboxylic acid;methane;methyl 2-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1,3-benzothiazole-6-carboxylate;triiodo-λ3-iodane
CID 165098262
6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1-methylindole-3-carboxylic acid
CID 155401334
4-(chloromethyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;methyl 3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl]piperazin-1-yl]benzoate;methyl 3-piperazin-1-ylbenzoate
CID 160689939
methyl 4-[(1R,4R,5S)-5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-azabicyclo[2.2.1]heptan-2-yl]benzoate
CID 139345366
4-[1-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]azetidin-3-yl]benzoic acid
CID 130366954
4-[4-[4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]benzoic acid
CID 157417870
4-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]pyrrolidin-1-yl]-N'-methoxybenzenecarboximidamide
CID 167152034
(2S)-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpiperazine-1-carboxylic acid
CID 139461465
4-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]benzoic acid;6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1H-indole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1-methylindazole-3-carboxylic acid;6-[4-[2-[5-cyclopropyl-3-(2,4-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1-methylindole-3-carboxylic acid
CID 164997932
2-[3-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-1,3-benzothiazole-6-carboxylic acid;diiodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;methyl 2-[3-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-1,3-benzothiazole-6-carboxylate
CID 165005679
methyl 2-[5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]quinoline-6-carboxylate
CID 142312771

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]benzoate?
The IUPAC name of methyl 4-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]benzoate (CID 155401626) is methyl 4-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]benzoate.
What is the SMILES notation for methyl 4-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]benzoate?
The canonical SMILES for methyl 4-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]benzoate is COC(=O)c1ccc(N2CCN(CCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)CC2)cc1.
What is the InChIKey of methyl 4-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]benzoate?
The InChIKey is FCAMUODFIUFBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27Cl2N3O3/c1-33-26(32)18-7-9-19(10-8-18)31-15-13-30(14-16-31)12-11-20-24(29-34-25(20)17-5-6-17)23-21(27)3-2-4-22(23)28/h2-4,7-10,17H,5-6,11-16H2,1H3.
What are the key properties of methyl 4-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]benzoate?
methyl 4-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]benzoate has a molecular weight of 500.43 g/mol, XLogP of 5.68, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]benzoate is sourced from PubChem (CID 155401626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).