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

C26H19Cl4N3O2 — CID 11157056

IUPAC[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)o1)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C26H19Cl4N3O2/c27-17-7-5-16(6-8-17)24-23(19-10-9-18(28)15-21(19)30)31-25(35-24)26(34)33-13-11-32(12-14-33)22-4-2-1-3-20(22)29/h1-10,15H,11-14H2
InChIKeyUEMDEKSRUGCKNJ-UHFFFAOYSA-N
MW547.27 g/mol
LogP7.58
Rot. Bonds4

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

[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone (PubChem CID 11157056) has the molecular formula C26H19Cl4N3O2 and a molecular weight of 547.27 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
PubChem CID11157056
Molecular FormulaC26H19Cl4N3O2
Molecular Weight547.27 g/mol
Exact Mass545.02
IUPAC Name[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)o1)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C26H19Cl4N3O2/c27-17-7-5-16(6-8-17)24-23(19-10-9-18(28)15-21(19)30)31-25(35-24)26(34)33-13-11-32(12-14-33)22-4-2-1-3-20(22)29/h1-10,15H,11-14H2
InChIKeyUEMDEKSRUGCKNJ-UHFFFAOYSA-N
XLogP7.58
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.27
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[2-[5-(4-bromophenyl)-4-(2,4-dichlorophenyl)-1,3-oxazole-2-carbonyl]phenyl]piperidin-4-yl]ethanone
CID 69459080
[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)pyrimidin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 11203262
4-(2-chlorophenyl)-N-(2,4-dichlorophenyl)piperazine-1-carboxamide
CID 113112852
(2,4-dichlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 1332392
[1-(2,4-dichlorophenyl)imidazo[1,5-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone
CID 134789556
N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(pyrrolidine-1-carbonyl)furo[2,3-b]pyridin-3-yl]acetamide
CID 10482067
[2-(4-chlorophenyl)-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
CID 46170557
[4-(2-chlorophenyl)piperazin-1-yl]-(4,5-dichlorothiophen-2-yl)methanone
CID 110190687
[4-(2-chlorophenyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone
CID 112729784
[4-(2-chlorophenyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 6468388
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 9013636
[(3S)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
CID 8967651

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone (CID 11157056) is [5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone is O=C(c1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)o1)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of [5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone?
The InChIKey is UEMDEKSRUGCKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19Cl4N3O2/c27-17-7-5-16(6-8-17)24-23(19-10-9-18(28)15-21(19)30)31-25(35-24)26(34)33-13-11-32(12-14-33)22-4-2-1-3-20(22)29/h1-10,15H,11-14H2.
What are the key properties of [5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone?
[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone has a molecular weight of 547.27 g/mol, XLogP of 7.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 11157056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).