2-[3-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]acetamide

C14H21N5O2S — CID 71981289

IUPAC2-[3-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]acetamide
SMILESCc1nnc(SC(C)c2ncc(C(C)(C)C)o2)n1CC(N)=O
InChIInChI=1S/C14H21N5O2S/c1-8(12-16-6-10(21-12)14(3,4)5)22-13-18-17-9(2)19(13)7-11(15)20/h6,8H,7H2,1-5H3,(H2,15,20)
InChIKeyAIPWMWAEPMOEJE-UHFFFAOYSA-N
MW323.42 g/mol
LogP2.21
Rot. Bonds5

About 2-[3-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]acetamide

2-[3-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]acetamide (PubChem CID 71981289) has the molecular formula C14H21N5O2S and a molecular weight of 323.42 g/mol. Its IUPAC name is 2-[3-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]acetamide.

Molecular Properties

Compound Name2-[3-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]acetamide
PubChem CID71981289
Molecular FormulaC14H21N5O2S
Molecular Weight323.42 g/mol
Exact Mass323.14
IUPAC Name2-[3-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]acetamide
SMILESCc1nnc(SC(C)c2ncc(C(C)(C)C)o2)n1CC(N)=O
InChIInChI=1S/C14H21N5O2S/c1-8(12-16-6-10(21-12)14(3,4)5)22-13-18-17-9(2)19(13)7-11(15)20/h6,8H,7H2,1-5H3,(H2,15,20)
InChIKeyAIPWMWAEPMOEJE-UHFFFAOYSA-N
XLogP2.21
TPSA99.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[3-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]acetamide?
The IUPAC name of 2-[3-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]acetamide (CID 71981289) is 2-[3-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]acetamide.
What is the SMILES notation for 2-[3-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]acetamide?
The canonical SMILES for 2-[3-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]acetamide is Cc1nnc(SC(C)c2ncc(C(C)(C)C)o2)n1CC(N)=O.
What is the InChIKey of 2-[3-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]acetamide?
The InChIKey is AIPWMWAEPMOEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2S/c1-8(12-16-6-10(21-12)14(3,4)5)22-13-18-17-9(2)19(13)7-11(15)20/h6,8H,7H2,1-5H3,(H2,15,20).
What are the key properties of 2-[3-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]acetamide?
2-[3-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]acetamide has a molecular weight of 323.42 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]acetamide is sourced from PubChem (CID 71981289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).