5-(4-chlorophenyl)-N-[3-(diethylamino)propyl]-1,2-oxazole-3-carboxamide

C17H22ClN3O2 — CID 3243805

IUPAC5-(4-chlorophenyl)-N-[3-(diethylamino)propyl]-1,2-oxazole-3-carboxamide
SMILESCCN(CC)CCCNC(=O)c1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C17H22ClN3O2/c1-3-21(4-2)11-5-10-19-17(22)15-12-16(23-20-15)13-6-8-14(18)9-7-13/h6-9,12H,3-5,10-11H2,1-2H3,(H,19,22)
InChIKeyUUIJAAPVQKLCRV-UHFFFAOYSA-N
MW335.84 g/mol
LogP3.46
Rot. Bonds8

About 5-(4-chlorophenyl)-N-[3-(diethylamino)propyl]-1,2-oxazole-3-carboxamide

5-(4-chlorophenyl)-N-[3-(diethylamino)propyl]-1,2-oxazole-3-carboxamide (PubChem CID 3243805) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.84 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[3-(diethylamino)propyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[3-(diethylamino)propyl]-1,2-oxazole-3-carboxamide
PubChem CID3243805
Molecular FormulaC17H22ClN3O2
Molecular Weight335.84 g/mol
Exact Mass335.14
IUPAC Name5-(4-chlorophenyl)-N-[3-(diethylamino)propyl]-1,2-oxazole-3-carboxamide
SMILESCCN(CC)CCCNC(=O)c1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C17H22ClN3O2/c1-3-21(4-2)11-5-10-19-17(22)15-12-16(23-20-15)13-6-8-14(18)9-7-13/h6-9,12H,3-5,10-11H2,1-2H3,(H,19,22)
InChIKeyUUIJAAPVQKLCRV-UHFFFAOYSA-N
XLogP3.46
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-N-[3-(diethylamino)propyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[3-(diethylamino)propyl]-1,2-oxazole-3-carboxamide (CID 3243805) is 5-(4-chlorophenyl)-N-[3-(diethylamino)propyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[3-(diethylamino)propyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[3-(diethylamino)propyl]-1,2-oxazole-3-carboxamide is CCN(CC)CCCNC(=O)c1cc(-c2ccc(Cl)cc2)on1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[3-(diethylamino)propyl]-1,2-oxazole-3-carboxamide?
The InChIKey is UUIJAAPVQKLCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2/c1-3-21(4-2)11-5-10-19-17(22)15-12-16(23-20-15)13-6-8-14(18)9-7-13/h6-9,12H,3-5,10-11H2,1-2H3,(H,19,22).
What are the key properties of 5-(4-chlorophenyl)-N-[3-(diethylamino)propyl]-1,2-oxazole-3-carboxamide?
5-(4-chlorophenyl)-N-[3-(diethylamino)propyl]-1,2-oxazole-3-carboxamide has a molecular weight of 335.84 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[3-(diethylamino)propyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3243805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).