N-(5-methyl-1,2-oxazol-3-yl)-2-(3,7,8-trimethylquinolin-2-yl)sulfanylacetamide

C18H19N3O2S — CID 857565

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-(3,7,8-trimethylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc(NC(=O)CSc2nc3c(C)c(C)ccc3cc2C)no1
InChIInChI=1S/C18H19N3O2S/c1-10-5-6-14-7-11(2)18(20-17(14)13(10)4)24-9-16(22)19-15-8-12(3)23-21-15/h5-8H,9H2,1-4H3,(H,19,21,22)
InChIKeyUJNYHWONFGTCIQ-UHFFFAOYSA-N
MW341.44 g/mol
LogP4.19
Rot. Bonds4

About N-(5-methyl-1,2-oxazol-3-yl)-2-(3,7,8-trimethylquinolin-2-yl)sulfanylacetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-(3,7,8-trimethylquinolin-2-yl)sulfanylacetamide (PubChem CID 857565) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-(3,7,8-trimethylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-(3,7,8-trimethylquinolin-2-yl)sulfanylacetamide
PubChem CID857565
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-(3,7,8-trimethylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc(NC(=O)CSc2nc3c(C)c(C)ccc3cc2C)no1
InChIInChI=1S/C18H19N3O2S/c1-10-5-6-14-7-11(2)18(20-17(14)13(10)4)24-9-16(22)19-15-8-12(3)23-21-15/h5-8H,9H2,1-4H3,(H,19,21,22)
InChIKeyUJNYHWONFGTCIQ-UHFFFAOYSA-N
XLogP4.19
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,7-Dimethyl-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 1176129
2-(3-Cyano-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 1433850
2-[2-(2-Cyclopentyl-ethyl)-quinazolin-4-ylsulfanyl]-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 651643
N-(5-Methyl-isoxazol-3-yl)-2-(2-propyl-quinazolin-4-ylsulfanyl)-acetamide
CID 653552
N-(5-Methyl-isoxazol-3-yl)-2-(4,6,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)-acetamide
CID 654574
2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 709545
2-(3,4-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide
CID 1222691
N-(5-methyl-3-isoxazolyl)-2-[(2-propan-2-yl-4-quinazolinyl)thio]acetamide
CID 1442803
2-(3-Cyano-5,8-dimethyl-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 1450200
Acetamide,2-[(3-cyano-5,7-dimethyl-2-quinolinyl)thio]-N-(5-methyl-3-isoxazolyl)-
CID 1450291
N-(5-methyl-1,2-oxazol-3-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 2059829
2-(3-Ethyl-6-methyl-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 3208003

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(3,7,8-trimethylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(3,7,8-trimethylquinolin-2-yl)sulfanylacetamide (CID 857565) is N-(5-methyl-1,2-oxazol-3-yl)-2-(3,7,8-trimethylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-(3,7,8-trimethylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-(3,7,8-trimethylquinolin-2-yl)sulfanylacetamide is Cc1cc(NC(=O)CSc2nc3c(C)c(C)ccc3cc2C)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-(3,7,8-trimethylquinolin-2-yl)sulfanylacetamide?
The InChIKey is UJNYHWONFGTCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-10-5-6-14-7-11(2)18(20-17(14)13(10)4)24-9-16(22)19-15-8-12(3)23-21-15/h5-8H,9H2,1-4H3,(H,19,21,22).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-(3,7,8-trimethylquinolin-2-yl)sulfanylacetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-(3,7,8-trimethylquinolin-2-yl)sulfanylacetamide has a molecular weight of 341.44 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-(3,7,8-trimethylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 857565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).