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

C17H15N5O2S — CID 654200

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
SMILESCc1cc(NC(=O)CSc2nnc3c(C)cc4ccccc4n23)no1
InChIInChI=1S/C17H15N5O2S/c1-10-7-12-5-3-4-6-13(12)22-16(10)19-20-17(22)25-9-15(23)18-14-8-11(2)24-21-14/h3-8H,9H2,1-2H3,(H,18,21,23)
InChIKeyPNZJTJPJINFANY-UHFFFAOYSA-N
MW353.41 g/mol
LogP3.22
Rot. Bonds4

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

N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide (PubChem CID 654200) has the molecular formula C17H15N5O2S and a molecular weight of 353.41 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methyl-[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-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
PubChem CID654200
Molecular FormulaC17H15N5O2S
Molecular Weight353.41 g/mol
Exact Mass353.09
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
SMILESCc1cc(NC(=O)CSc2nnc3c(C)cc4ccccc4n23)no1
InChIInChI=1S/C17H15N5O2S/c1-10-7-12-5-3-4-6-13(12)22-16(10)19-20-17(22)25-9-15(23)18-14-8-11(2)24-21-14/h3-8H,9H2,1-2H3,(H,18,21,23)
InChIKeyPNZJTJPJINFANY-UHFFFAOYSA-N
XLogP3.22
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 53.22
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-methyl-[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-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide (CID 654200) is N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methyl-[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-methyl-[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-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide is Cc1cc(NC(=O)CSc2nnc3c(C)cc4ccccc4n23)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide?
The InChIKey is PNZJTJPJINFANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2S/c1-10-7-12-5-3-4-6-13(12)22-16(10)19-20-17(22)25-9-15(23)18-14-8-11(2)24-21-14/h3-8H,9H2,1-2H3,(H,18,21,23).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide has a molecular weight of 353.41 g/mol, XLogP of 3.22, 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-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide is sourced from PubChem (CID 654200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).