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

C20H17Cl2N3O2 — CID 95754562

IUPAC[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2ccc(Cl)cc2)on1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H17Cl2N3O2/c21-15-3-1-14(2-4-15)19-13-18(23-27-19)20(26)25-11-9-24(10-12-25)17-7-5-16(22)6-8-17/h1-8,13H,9-12H2
InChIKeyGLVXMRNWYFQQCA-UHFFFAOYSA-N
MW402.28 g/mol
LogP4.61
Rot. Bonds3

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

[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone (PubChem CID 95754562) has the molecular formula C20H17Cl2N3O2 and a molecular weight of 402.28 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone
PubChem CID95754562
Molecular FormulaC20H17Cl2N3O2
Molecular Weight402.28 g/mol
Exact Mass401.07
IUPAC Name[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2ccc(Cl)cc2)on1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H17Cl2N3O2/c21-15-3-1-14(2-4-15)19-13-18(23-27-19)20(26)25-11-9-24(10-12-25)17-7-5-16(22)6-8-17/h1-8,13H,9-12H2
InChIKeyGLVXMRNWYFQQCA-UHFFFAOYSA-N
XLogP4.61
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.28
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 15997087
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone;ethane
CID 144928448
(4-benzylpiperazin-1-yl)-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methanone
CID 17252730
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119562656
[4-(4-methoxyphenyl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 17011323
[4-(4-chlorophenyl)piperazin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
CID 71995038
5-(4-chlorophenyl)-1,2-oxazole-3-carboxylic acid
CID 1133644
[1-[5-(4-chlorophenyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]-phenylmethanone
CID 24682971
2-(4-chlorophenyl)-1-[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone
CID 112845684
5-(4-chlorophenyl)-N-(4-piperazin-1-ylphenyl)-1,2-oxazole-3-carboxamide
CID 70689582
5-[4-[5-(4-chlorophenyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile
CID 172898408
(3-chlorophenyl)-[4-(5-phenyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
CID 35036906

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone (CID 95754562) is [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone is O=C(c1cc(-c2ccc(Cl)cc2)on1)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone?
The InChIKey is GLVXMRNWYFQQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O2/c21-15-3-1-14(2-4-15)19-13-18(23-27-19)20(26)25-11-9-24(10-12-25)17-7-5-16(22)6-8-17/h1-8,13H,9-12H2.
What are the key properties of [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone?
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone has a molecular weight of 402.28 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 95754562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).