[4-(2,3-dichlorophenyl)piperazin-1-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone

C15H15Cl2N3O3 — CID 90573947

IUPAC[4-(2,3-dichlorophenyl)piperazin-1-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone
SMILESCOc1cc(C(=O)N2CCN(c3cccc(Cl)c3Cl)CC2)on1
InChIInChI=1S/C15H15Cl2N3O3/c1-22-13-9-12(23-18-13)15(21)20-7-5-19(6-8-20)11-4-2-3-10(16)14(11)17/h2-4,9H,5-8H2,1H3
InChIKeyILBLACUNJAWMEQ-UHFFFAOYSA-N
MW356.21 g/mol
LogP2.95
Rot. Bonds3

About [4-(2,3-dichlorophenyl)piperazin-1-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone

[4-(2,3-dichlorophenyl)piperazin-1-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone (PubChem CID 90573947) has the molecular formula C15H15Cl2N3O3 and a molecular weight of 356.21 g/mol. Its IUPAC name is [4-(2,3-dichlorophenyl)piperazin-1-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(2,3-dichlorophenyl)piperazin-1-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone
PubChem CID90573947
Molecular FormulaC15H15Cl2N3O3
Molecular Weight356.21 g/mol
Exact Mass355.05
IUPAC Name[4-(2,3-dichlorophenyl)piperazin-1-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone
SMILESCOc1cc(C(=O)N2CCN(c3cccc(Cl)c3Cl)CC2)on1
InChIInChI=1S/C15H15Cl2N3O3/c1-22-13-9-12(23-18-13)15(21)20-7-5-19(6-8-20)11-4-2-3-10(16)14(11)17/h2-4,9H,5-8H2,1H3
InChIKeyILBLACUNJAWMEQ-UHFFFAOYSA-N
XLogP2.95
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-benzylpiperazin-1-yl)-(3-methoxy-1,2-oxazol-5-yl)methanone
CID 90573738
[4-(2,3-dichlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 113080480
methyl 4-(2,3-dichlorophenyl)piperazine-1-carboxylate
CID 113080518
(3-methoxy-1,2-oxazol-5-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 90573958
methyl 1-(3-methoxy-1,2-oxazole-5-carbonyl)piperidine-4-carboxylate
CID 90573723
4-(3-methoxy-1,2-oxazole-5-carbonyl)-N-methylpiperazine-1-sulfonamide
CID 138993831
(4-cyclohexylpiperazin-1-yl)-(3-methoxy-1,2-oxazol-5-yl)methanone
CID 90573953
[4-(2-hydroxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
CID 38416794
[4-(2,3-dichlorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 113080481
[4-(2,3-dichlorophenyl)piperazin-1-yl]-[6-(difluoromethyl)-2-methylpyrimidin-4-yl]methanone
CID 165432904
[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 56796895
[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-(2-methoxypyrimidin-5-yl)methanone
CID 138022254

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dichlorophenyl)piperazin-1-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone?
The IUPAC name of [4-(2,3-dichlorophenyl)piperazin-1-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone (CID 90573947) is [4-(2,3-dichlorophenyl)piperazin-1-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [4-(2,3-dichlorophenyl)piperazin-1-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [4-(2,3-dichlorophenyl)piperazin-1-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone is COc1cc(C(=O)N2CCN(c3cccc(Cl)c3Cl)CC2)on1.
What is the InChIKey of [4-(2,3-dichlorophenyl)piperazin-1-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone?
The InChIKey is ILBLACUNJAWMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O3/c1-22-13-9-12(23-18-13)15(21)20-7-5-19(6-8-20)11-4-2-3-10(16)14(11)17/h2-4,9H,5-8H2,1H3.
What are the key properties of [4-(2,3-dichlorophenyl)piperazin-1-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone?
[4-(2,3-dichlorophenyl)piperazin-1-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone has a molecular weight of 356.21 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dichlorophenyl)piperazin-1-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 90573947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).