2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-4-yl)acetamide

C22H19N3O2 — CID 16878536

IUPAC2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-4-yl)acetamide
SMILESCc1ccc(-c2cc(CC(=O)Nc3cc(C)nc4ccccc34)no2)cc1
InChIInChI=1S/C22H19N3O2/c1-14-7-9-16(10-8-14)21-12-17(25-27-21)13-22(26)24-20-11-15(2)23-19-6-4-3-5-18(19)20/h3-12H,13H2,1-2H3,(H,23,24,26)
InChIKeyKQMNWGHBAPYLDY-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.69
Rot. Bonds4

About 2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-4-yl)acetamide

2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-4-yl)acetamide (PubChem CID 16878536) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-4-yl)acetamide.

Molecular Properties

Compound Name2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-4-yl)acetamide
PubChem CID16878536
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-4-yl)acetamide
SMILESCc1ccc(-c2cc(CC(=O)Nc3cc(C)nc4ccccc34)no2)cc1
InChIInChI=1S/C22H19N3O2/c1-14-7-9-16(10-8-14)21-12-17(25-27-21)13-22(26)24-20-11-15(2)23-19-6-4-3-5-18(19)20/h3-12H,13H2,1-2H3,(H,23,24,26)
InChIKeyKQMNWGHBAPYLDY-UHFFFAOYSA-N
XLogP4.69
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetamide
CID 16878473
N-(2-methyl-1,3-benzoxazol-7-yl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 110356766
2-(2-amino-1,3-thiazol-4-yl)-N-(2-methylquinolin-4-yl)acetamide
CID 62795895
2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 16878555
N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2-naphthalen-1-ylacetamide
CID 16866680
N-(4-fluorophenyl)-2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetamide
CID 16878475
N-(2-ethylphenyl)-2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]acetamide
CID 16878811
N-(4-hydroxyphenyl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 155556405
2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]-N-propan-2-ylacetamide
CID 16878418
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-phenylphenyl)acetamide
CID 16878671
2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-(6-methyl-2-pyridinyl)acetamide
CID 16878881
N-(4-methoxyphenyl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 16878325

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-4-yl)acetamide?
The IUPAC name of 2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-4-yl)acetamide (CID 16878536) is 2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-4-yl)acetamide.
What is the SMILES notation for 2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-4-yl)acetamide?
The canonical SMILES for 2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-4-yl)acetamide is Cc1ccc(-c2cc(CC(=O)Nc3cc(C)nc4ccccc34)no2)cc1.
What is the InChIKey of 2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-4-yl)acetamide?
The InChIKey is KQMNWGHBAPYLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-14-7-9-16(10-8-14)21-12-17(25-27-21)13-22(26)24-20-11-15(2)23-19-6-4-3-5-18(19)20/h3-12H,13H2,1-2H3,(H,23,24,26).
What are the key properties of 2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-4-yl)acetamide?
2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-4-yl)acetamide has a molecular weight of 357.41 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-4-yl)acetamide is sourced from PubChem (CID 16878536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).