2-(2,4-dimethylquinolin-3-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide

C21H19N3O2S — CID 24666211

IUPAC2-(2,4-dimethylquinolin-3-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide
SMILESCc1nc2ccccc2c(C)c1CC(=O)NCc1coc(-c2cccs2)n1
InChIInChI=1S/C21H19N3O2S/c1-13-16-6-3-4-7-18(16)23-14(2)17(13)10-20(25)22-11-15-12-26-21(24-15)19-8-5-9-27-19/h3-9,12H,10-11H2,1-2H3,(H,22,25)
InChIKeyNZDPVEZXAXATTF-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.43
Rot. Bonds5

About 2-(2,4-dimethylquinolin-3-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide

2-(2,4-dimethylquinolin-3-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide (PubChem CID 24666211) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is 2-(2,4-dimethylquinolin-3-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylquinolin-3-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide
PubChem CID24666211
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC Name2-(2,4-dimethylquinolin-3-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide
SMILESCc1nc2ccccc2c(C)c1CC(=O)NCc1coc(-c2cccs2)n1
InChIInChI=1S/C21H19N3O2S/c1-13-16-6-3-4-7-18(16)23-14(2)17(13)10-20(25)22-11-15-12-26-21(24-15)19-8-5-9-27-19/h3-9,12H,10-11H2,1-2H3,(H,22,25)
InChIKeyNZDPVEZXAXATTF-UHFFFAOYSA-N
XLogP4.43
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylquinolin-3-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(2,4-dimethylquinolin-3-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide (CID 24666211) is 2-(2,4-dimethylquinolin-3-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethylquinolin-3-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(2,4-dimethylquinolin-3-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide is Cc1nc2ccccc2c(C)c1CC(=O)NCc1coc(-c2cccs2)n1.
What is the InChIKey of 2-(2,4-dimethylquinolin-3-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide?
The InChIKey is NZDPVEZXAXATTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c1-13-16-6-3-4-7-18(16)23-14(2)17(13)10-20(25)22-11-15-12-26-21(24-15)19-8-5-9-27-19/h3-9,12H,10-11H2,1-2H3,(H,22,25).
What are the key properties of 2-(2,4-dimethylquinolin-3-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide?
2-(2,4-dimethylquinolin-3-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide has a molecular weight of 377.47 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylquinolin-3-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide is sourced from PubChem (CID 24666211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).