[4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

C17H17Cl2N3O4 — CID 110328475

IUPAC[4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)N1CCN(C(=O)c2cc(C)on2)CC1
InChIInChI=1S/C17H17Cl2N3O4/c1-10-9-13(20-26-10)16(23)21-5-7-22(8-6-21)17(24)14-11(18)3-4-12(19)15(14)25-2/h3-4,9H,5-8H2,1-2H3
InChIKeyASEVECSRZNYYOT-UHFFFAOYSA-N
MW398.25 g/mol
LogP2.90
Rot. Bonds3

About [4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

[4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (PubChem CID 110328475) has the molecular formula C17H17Cl2N3O4 and a molecular weight of 398.25 g/mol. Its IUPAC name is [4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
PubChem CID110328475
Molecular FormulaC17H17Cl2N3O4
Molecular Weight398.25 g/mol
Exact Mass397.06
IUPAC Name[4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)N1CCN(C(=O)c2cc(C)on2)CC1
InChIInChI=1S/C17H17Cl2N3O4/c1-10-9-13(20-26-10)16(23)21-5-7-22(8-6-21)17(24)14-11(18)3-4-12(19)15(14)25-2/h3-4,9H,5-8H2,1-2H3
InChIKeyASEVECSRZNYYOT-UHFFFAOYSA-N
XLogP2.90
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.25
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone with MolForge

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Related Compounds

(3,6-dichloro-2-methoxyphenyl)-piperidin-1-ylmethanone
CID 110755240
(4-chlorophenyl)-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
CID 51076533
(2-methoxyphenyl)-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
CID 110328432
[4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 108567728
1-[4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 108569916
methyl 4-(5-methyl-1,2-oxazole-3-carbonyl)-1,4-diazepane-1-carboxylate
CID 110645755
(4-chloropiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 66155616
(3,6-dichloro-2-methoxyphenyl)-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 110396652
2,2-dimethyl-1-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]propan-1-one
CID 110328421
(4-cyclopentylpiperazin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 121184683
(3,6-dichloro-2-methoxyphenyl)-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]methanone
CID 108729933
[4-(5-methyl-1,2-oxazole-3-carbonyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 110645702

Frequently Asked Questions

What is the IUPAC name of [4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (CID 110328475) is [4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is COc1c(Cl)ccc(Cl)c1C(=O)N1CCN(C(=O)c2cc(C)on2)CC1.
What is the InChIKey of [4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The InChIKey is ASEVECSRZNYYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O4/c1-10-9-13(20-26-10)16(23)21-5-7-22(8-6-21)17(24)14-11(18)3-4-12(19)15(14)25-2/h3-4,9H,5-8H2,1-2H3.
What are the key properties of [4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
[4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone has a molecular weight of 398.25 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 110328475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).