2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[4-(dimethylamino)phenyl]acetamide

C19H18ClN3O2 — CID 16878662

IUPAC2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[4-(dimethylamino)phenyl]acetamide
SMILESCN(C)c1ccc(NC(=O)Cc2cc(-c3ccc(Cl)cc3)on2)cc1
InChIInChI=1S/C19H18ClN3O2/c1-23(2)17-9-7-15(8-10-17)21-19(24)12-16-11-18(25-22-16)13-3-5-14(20)6-4-13/h3-11H,12H2,1-2H3,(H,21,24)
InChIKeyQBZWVMFCCHMVOZ-UHFFFAOYSA-N
MW355.83 g/mol
LogP4.24
Rot. Bonds5

About 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[4-(dimethylamino)phenyl]acetamide

2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[4-(dimethylamino)phenyl]acetamide (PubChem CID 16878662) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[4-(dimethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[4-(dimethylamino)phenyl]acetamide
PubChem CID16878662
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[4-(dimethylamino)phenyl]acetamide
SMILESCN(C)c1ccc(NC(=O)Cc2cc(-c3ccc(Cl)cc3)on2)cc1
InChIInChI=1S/C19H18ClN3O2/c1-23(2)17-9-7-15(8-10-17)21-19(24)12-16-11-18(25-22-16)13-3-5-14(20)6-4-13/h3-11H,12H2,1-2H3,(H,21,24)
InChIKeyQBZWVMFCCHMVOZ-UHFFFAOYSA-N
XLogP4.24
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 16878599
N-(4-chlorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 68647812
N-(4-acetamidophenyl)-2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]acetamide
CID 16878906
N-(4-fluorophenyl)-2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetamide
CID 16878475
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-(dimethylamino)-2-methylpropyl]acetamide
CID 110312947
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-methoxyacetamide
CID 110619836
N-(4-chlorophenyl)-2-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]acetamide
CID 8815901
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide
CID 110619938
N-(1-acetyl-2,3-dihydroindol-6-yl)-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetamide
CID 110313457
methyl 4-[[2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetyl]amino]benzoate
CID 16878495
N-(4-hydroxyphenyl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 155556405
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)acetamide
CID 16878709

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[4-(dimethylamino)phenyl]acetamide?
The IUPAC name of 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[4-(dimethylamino)phenyl]acetamide (CID 16878662) is 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[4-(dimethylamino)phenyl]acetamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[4-(dimethylamino)phenyl]acetamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[4-(dimethylamino)phenyl]acetamide is CN(C)c1ccc(NC(=O)Cc2cc(-c3ccc(Cl)cc3)on2)cc1.
What is the InChIKey of 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[4-(dimethylamino)phenyl]acetamide?
The InChIKey is QBZWVMFCCHMVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-23(2)17-9-7-15(8-10-17)21-19(24)12-16-11-18(25-22-16)13-3-5-14(20)6-4-13/h3-11H,12H2,1-2H3,(H,21,24).
What are the key properties of 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[4-(dimethylamino)phenyl]acetamide?
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[4-(dimethylamino)phenyl]acetamide has a molecular weight of 355.83 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[4-(dimethylamino)phenyl]acetamide is sourced from PubChem (CID 16878662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).