[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

C21H20ClN3O3 — CID 3242202

IUPAC[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cc(-c3cccc(Cl)c3)on2)CC1
InChIInChI=1S/C21H20ClN3O3/c1-27-19-8-3-2-7-18(19)24-9-11-25(12-10-24)21(26)17-14-20(28-23-17)15-5-4-6-16(22)13-15/h2-8,13-14H,9-12H2,1H3
InChIKeyQLKGVECXEKDGRM-UHFFFAOYSA-N
MW397.86 g/mol
LogP3.97
Rot. Bonds4

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

[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 3242202) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is [5-(3-chlorophenyl)-1,2-oxazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID3242202
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC Name[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cc(-c3cccc(Cl)c3)on2)CC1
InChIInChI=1S/C21H20ClN3O3/c1-27-19-8-3-2-7-18(19)24-9-11-25(12-10-24)21(26)17-14-20(28-23-17)15-5-4-6-16(22)13-15/h2-8,13-14H,9-12H2,1H3
InChIKeyQLKGVECXEKDGRM-UHFFFAOYSA-N
XLogP3.97
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-chlorophenyl)-N-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 1093858
5-Phenylisoxazol-3-yl 4-phenylpiperazinyl ketone
CID 1250455
5-(4-Chlorophenyl)isoxazol-3-yl 4-phenylpiperazinyl ketone
CID 17252726
N-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 5016616
5-(3-Methoxyphenyl)isoxazol-3-yl morpholin-4-yl ketone
CID 17252862
5-(3-Chlorophenyl)isoxazol-3-yl morpholin-4-yl ketone
CID 17252967
3-(2-Chlorophenyl)-5-methylisoxazol-4-yl 4-(2-methoxyphenyl)piperazinyl ketone
CID 660070
[3-(2-Chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 1011145
N-(5-chloro-2-methoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093727
(5-(4-Chlorophenyl)isoxazol-3-yl)(morpholino)methanone
CID 3242114
5-(3,4-Dichlorophenyl)isoxazol-3-yl morpholin-4-yl ketone
CID 5054584
Benzo[d]isoxazole-3-carboxylic acid {2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-ethyl}-amide
CID 11740508

Frequently Asked Questions

What is the IUPAC name of [5-(3-chlorophenyl)-1,2-oxazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [5-(3-chlorophenyl)-1,2-oxazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 3242202) is [5-(3-chlorophenyl)-1,2-oxazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-(3-chlorophenyl)-1,2-oxazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [5-(3-chlorophenyl)-1,2-oxazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is COc1ccccc1N1CCN(C(=O)c2cc(-c3cccc(Cl)c3)on2)CC1.
What is the InChIKey of [5-(3-chlorophenyl)-1,2-oxazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is QLKGVECXEKDGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-27-19-8-3-2-7-18(19)24-9-11-25(12-10-24)21(26)17-14-20(28-23-17)15-5-4-6-16(22)13-15/h2-8,13-14H,9-12H2,1H3.
What are the key properties of [5-(3-chlorophenyl)-1,2-oxazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 397.86 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chlorophenyl)-1,2-oxazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 3242202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).