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

C19H24ClN3O4 — CID 135095764

IUPAC[5-(4-chlorophenyl)-3-(2-methoxyethylamino)-1,2-oxazol-4-yl]-(3-methoxypiperidin-1-yl)methanone
SMILESCOCCNc1noc(-c2ccc(Cl)cc2)c1C(=O)N1CCCC(OC)C1
InChIInChI=1S/C19H24ClN3O4/c1-25-11-9-21-18-16(19(24)23-10-3-4-15(12-23)26-2)17(27-22-18)13-5-7-14(20)8-6-13/h5-8,15H,3-4,9-12H2,1-2H3,(H,21,22)
InChIKeySSFAWBUYPVBHQE-UHFFFAOYSA-N
MW393.87 g/mol
LogP3.30
Rot. Bonds7

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

[5-(4-chlorophenyl)-3-(2-methoxyethylamino)-1,2-oxazol-4-yl]-(3-methoxypiperidin-1-yl)methanone (PubChem CID 135095764) has the molecular formula C19H24ClN3O4 and a molecular weight of 393.87 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-3-(2-methoxyethylamino)-1,2-oxazol-4-yl]-(3-methoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-3-(2-methoxyethylamino)-1,2-oxazol-4-yl]-(3-methoxypiperidin-1-yl)methanone
PubChem CID135095764
Molecular FormulaC19H24ClN3O4
Molecular Weight393.87 g/mol
Exact Mass393.15
IUPAC Name[5-(4-chlorophenyl)-3-(2-methoxyethylamino)-1,2-oxazol-4-yl]-(3-methoxypiperidin-1-yl)methanone
SMILESCOCCNc1noc(-c2ccc(Cl)cc2)c1C(=O)N1CCCC(OC)C1
InChIInChI=1S/C19H24ClN3O4/c1-25-11-9-21-18-16(19(24)23-10-3-4-15(12-23)26-2)17(27-22-18)13-5-7-14(20)8-6-13/h5-8,15H,3-4,9-12H2,1-2H3,(H,21,22)
InChIKeySSFAWBUYPVBHQE-UHFFFAOYSA-N
XLogP3.30
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-3-(2-methoxyethylamino)-1,2-oxazol-4-yl]-(3-methoxypiperidin-1-yl)methanone?
The IUPAC name of [5-(4-chlorophenyl)-3-(2-methoxyethylamino)-1,2-oxazol-4-yl]-(3-methoxypiperidin-1-yl)methanone (CID 135095764) is [5-(4-chlorophenyl)-3-(2-methoxyethylamino)-1,2-oxazol-4-yl]-(3-methoxypiperidin-1-yl)methanone.
What is the SMILES notation for [5-(4-chlorophenyl)-3-(2-methoxyethylamino)-1,2-oxazol-4-yl]-(3-methoxypiperidin-1-yl)methanone?
The canonical SMILES for [5-(4-chlorophenyl)-3-(2-methoxyethylamino)-1,2-oxazol-4-yl]-(3-methoxypiperidin-1-yl)methanone is COCCNc1noc(-c2ccc(Cl)cc2)c1C(=O)N1CCCC(OC)C1.
What is the InChIKey of [5-(4-chlorophenyl)-3-(2-methoxyethylamino)-1,2-oxazol-4-yl]-(3-methoxypiperidin-1-yl)methanone?
The InChIKey is SSFAWBUYPVBHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O4/c1-25-11-9-21-18-16(19(24)23-10-3-4-15(12-23)26-2)17(27-22-18)13-5-7-14(20)8-6-13/h5-8,15H,3-4,9-12H2,1-2H3,(H,21,22).
What are the key properties of [5-(4-chlorophenyl)-3-(2-methoxyethylamino)-1,2-oxazol-4-yl]-(3-methoxypiperidin-1-yl)methanone?
[5-(4-chlorophenyl)-3-(2-methoxyethylamino)-1,2-oxazol-4-yl]-(3-methoxypiperidin-1-yl)methanone has a molecular weight of 393.87 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-3-(2-methoxyethylamino)-1,2-oxazol-4-yl]-(3-methoxypiperidin-1-yl)methanone is sourced from PubChem (CID 135095764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).