3-[[4-[2-(2,5-dichlorophenoxy)ethyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole

C17H21Cl2N3O2 — CID 112796498

IUPAC3-[[4-[2-(2,5-dichlorophenoxy)ethyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CN2CCN(CCOc3cc(Cl)ccc3Cl)CC2)no1
InChIInChI=1S/C17H21Cl2N3O2/c1-13-10-15(20-24-13)12-22-6-4-21(5-7-22)8-9-23-17-11-14(18)2-3-16(17)19/h2-3,10-11H,4-9,12H2,1H3
InChIKeyRARSZNPTZZICCG-UHFFFAOYSA-N
MW370.28 g/mol
LogP3.49
Rot. Bonds6

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

3-[[4-[2-(2,5-dichlorophenoxy)ethyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole (PubChem CID 112796498) has the molecular formula C17H21Cl2N3O2 and a molecular weight of 370.28 g/mol. Its IUPAC name is 3-[[4-[2-(2,5-dichlorophenoxy)ethyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[[4-[2-(2,5-dichlorophenoxy)ethyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
PubChem CID112796498
Molecular FormulaC17H21Cl2N3O2
Molecular Weight370.28 g/mol
Exact Mass369.10
IUPAC Name3-[[4-[2-(2,5-dichlorophenoxy)ethyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CN2CCN(CCOc3cc(Cl)ccc3Cl)CC2)no1
InChIInChI=1S/C17H21Cl2N3O2/c1-13-10-15(20-24-13)12-22-6-4-21(5-7-22)8-9-23-17-11-14(18)2-3-16(17)19/h2-3,10-11H,4-9,12H2,1H3
InChIKeyRARSZNPTZZICCG-UHFFFAOYSA-N
XLogP3.49
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2,5-dichlorophenoxy)methyl]-5-methyl-1,2-oxazole
CID 78807744
4-[4-[2-(2,5-dichlorophenoxy)ethyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 112798679
1-[2-(2,5-dichlorophenoxy)ethyl]-4-methylpiperidine
CID 2364331
1-[2-(2,5-dichlorophenoxy)ethyl]-4-(2-phenylethyl)piperazine
CID 112808904
4-[4-[2-(2,5-dichlorophenoxy)ethyl]piperazin-1-yl]sulfonylbenzonitrile
CID 112797113
5-methyl-3-[[4-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]piperazin-1-yl]methyl]-1,2-oxazole
CID 94081831
1-[4-(2,5-dichlorophenoxy)butyl]piperazine
CID 2299434
1-[2-(2-bromo-4-chlorophenoxy)ethyl]-4-ethylpiperazine
CID 973313
3-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 27635164
4-[3-(2,5-dichlorophenoxy)propyl]piperazine-1-carboxylic acid
CID 69460127
[4-[2-(2,5-dichlorophenoxy)ethyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 112814782
1-cyclopropylsulfonyl-4-[2-(2,5-dichlorophenoxy)ethyl]-1,4-diazepane
CID 126799490

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[2-(2,5-dichlorophenoxy)ethyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[[4-[2-(2,5-dichlorophenoxy)ethyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole (CID 112796498) is 3-[[4-[2-(2,5-dichlorophenoxy)ethyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[[4-[2-(2,5-dichlorophenoxy)ethyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[[4-[2-(2,5-dichlorophenoxy)ethyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole is Cc1cc(CN2CCN(CCOc3cc(Cl)ccc3Cl)CC2)no1.
What is the InChIKey of 3-[[4-[2-(2,5-dichlorophenoxy)ethyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The InChIKey is RARSZNPTZZICCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2N3O2/c1-13-10-15(20-24-13)12-22-6-4-21(5-7-22)8-9-23-17-11-14(18)2-3-16(17)19/h2-3,10-11H,4-9,12H2,1H3.
What are the key properties of 3-[[4-[2-(2,5-dichlorophenoxy)ethyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
3-[[4-[2-(2,5-dichlorophenoxy)ethyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole has a molecular weight of 370.28 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[2-(2,5-dichlorophenoxy)ethyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 112796498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).