N-(5-methyl-1,2-oxazol-3-yl)-2-[(4,7,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide

C19H19N5O2S — CID 655339

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[(4,7,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
SMILESCc1cc(NC(=O)CSc2nnc3c(C)cc4cc(C)c(C)cc4n23)no1
InChIInChI=1S/C19H19N5O2S/c1-10-5-14-6-12(3)18-21-22-19(24(18)15(14)7-11(10)2)27-9-17(25)20-16-8-13(4)26-23-16/h5-8H,9H2,1-4H3,(H,20,23,25)
InChIKeyBTFPTEFYTUSULQ-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.83
Rot. Bonds4

About N-(5-methyl-1,2-oxazol-3-yl)-2-[(4,7,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[(4,7,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide (PubChem CID 655339) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[(4,7,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[(4,7,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
PubChem CID655339
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[(4,7,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
SMILESCc1cc(NC(=O)CSc2nnc3c(C)cc4cc(C)c(C)cc4n23)no1
InChIInChI=1S/C19H19N5O2S/c1-10-5-14-6-12(3)18-21-22-19(24(18)15(14)7-11(10)2)27-9-17(25)20-16-8-13(4)26-23-16/h5-8H,9H2,1-4H3,(H,20,23,25)
InChIKeyBTFPTEFYTUSULQ-UHFFFAOYSA-N
XLogP3.83
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[(4,7,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[(4,7,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide (CID 655339) is N-(5-methyl-1,2-oxazol-3-yl)-2-[(4,7,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[(4,7,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[(4,7,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide is Cc1cc(NC(=O)CSc2nnc3c(C)cc4cc(C)c(C)cc4n23)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[(4,7,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide?
The InChIKey is BTFPTEFYTUSULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-10-5-14-6-12(3)18-21-22-19(24(18)15(14)7-11(10)2)27-9-17(25)20-16-8-13(4)26-23-16/h5-8H,9H2,1-4H3,(H,20,23,25).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[(4,7,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[(4,7,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide has a molecular weight of 381.46 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[(4,7,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide is sourced from PubChem (CID 655339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).