2-(3-chloro-4-fluorophenoxy)-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone

C17H19ClFN3O3 — CID 134003303

IUPAC2-(3-chloro-4-fluorophenoxy)-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone
SMILESCc1cc(CN2CCN(C(=O)COc3ccc(F)c(Cl)c3)CC2)on1
InChIInChI=1S/C17H19ClFN3O3/c1-12-8-14(25-20-12)10-21-4-6-22(7-5-21)17(23)11-24-13-2-3-16(19)15(18)9-13/h2-3,8-9H,4-7,10-11H2,1H3
InChIKeyPOPOXUBOAVMMDK-UHFFFAOYSA-N
MW367.81 g/mol
LogP2.50
Rot. Bonds5

About 2-(3-chloro-4-fluorophenoxy)-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone

2-(3-chloro-4-fluorophenoxy)-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone (PubChem CID 134003303) has the molecular formula C17H19ClFN3O3 and a molecular weight of 367.81 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone
PubChem CID134003303
Molecular FormulaC17H19ClFN3O3
Molecular Weight367.81 g/mol
Exact Mass367.11
IUPAC Name2-(3-chloro-4-fluorophenoxy)-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone
SMILESCc1cc(CN2CCN(C(=O)COc3ccc(F)c(Cl)c3)CC2)on1
InChIInChI=1S/C17H19ClFN3O3/c1-12-8-14(25-20-12)10-21-4-6-22(7-5-21)17(23)11-24-13-2-3-16(19)15(18)9-13/h2-3,8-9H,4-7,10-11H2,1H3
InChIKeyPOPOXUBOAVMMDK-UHFFFAOYSA-N
XLogP2.50
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.81
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3-chloro-4-fluorophenoxy)-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-(3-chloro-4-fluorophenoxy)-1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone
CID 55560210
2-(4-fluorophenoxy)-1-[4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]ethanone
CID 112826219
2-(2-chlorophenyl)-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 56810432
2-(4-ethoxyphenyl)-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 134063448
2-(4-fluorophenoxy)-1-[4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 78877405
2-(4-chloro-3-methylphenoxy)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
CID 17249616
1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)ethanone
CID 51269654
2-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone;dihydrochloride
CID 119399319
(3,4-dichlorophenyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 51269599
2-(3-chloro-4-fluorophenoxy)-1-(1,4-diazepan-1-yl)ethanone;hydrochloride
CID 119416174
(2-bromo-5-chlorophenyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 78849723
2-(3,4-dichlorophenoxy)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 55598057

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone (CID 134003303) is 2-(3-chloro-4-fluorophenoxy)-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone is Cc1cc(CN2CCN(C(=O)COc3ccc(F)c(Cl)c3)CC2)on1.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone?
The InChIKey is POPOXUBOAVMMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN3O3/c1-12-8-14(25-20-12)10-21-4-6-22(7-5-21)17(23)11-24-13-2-3-16(19)15(18)9-13/h2-3,8-9H,4-7,10-11H2,1H3.
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone?
2-(3-chloro-4-fluorophenoxy)-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone has a molecular weight of 367.81 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenoxy)-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 134003303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).