2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide

C18H17N5O2S — CID 31842014

IUPAC2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
SMILESCc1oc(-c2cccs2)nc1CC(=O)NCCc1nnc2ccccn12
InChIInChI=1S/C18H17N5O2S/c1-12-13(20-18(25-12)14-5-4-10-26-14)11-17(24)19-8-7-16-22-21-15-6-2-3-9-23(15)16/h2-6,9-10H,7-8,11H2,1H3,(H,19,24)
InChIKeyPFUJDYFJBSXJSX-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.66
Rot. Bonds6

About 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide

2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide (PubChem CID 31842014) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
PubChem CID31842014
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC Name2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
SMILESCc1oc(-c2cccs2)nc1CC(=O)NCCc1nnc2ccccn12
InChIInChI=1S/C18H17N5O2S/c1-12-13(20-18(25-12)14-5-4-10-26-14)11-17(24)19-8-7-16-22-21-15-6-2-3-9-23(15)16/h2-6,9-10H,7-8,11H2,1H3,(H,19,24)
InChIKeyPFUJDYFJBSXJSX-UHFFFAOYSA-N
XLogP2.66
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide with MolForge

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Related Compounds

N-(2-aminoethyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
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N-[(5-chlorothiophen-2-yl)methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?
The IUPAC name of 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide (CID 31842014) is 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide is Cc1oc(-c2cccs2)nc1CC(=O)NCCc1nnc2ccccn12.
What is the InChIKey of 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?
The InChIKey is PFUJDYFJBSXJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/c1-12-13(20-18(25-12)14-5-4-10-26-14)11-17(24)19-8-7-16-22-21-15-6-2-3-9-23(15)16/h2-6,9-10H,7-8,11H2,1H3,(H,19,24).
What are the key properties of 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide has a molecular weight of 367.43 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide is sourced from PubChem (CID 31842014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).