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

C12H17N5O2S — CID 42115494

IUPACN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCc1nc(SCC(=O)Nc2cc(C(C)(C)C)no2)n[nH]1
InChIInChI=1S/C12H17N5O2S/c1-7-13-11(16-15-7)20-6-9(18)14-10-5-8(17-19-10)12(2,3)4/h5H,6H2,1-4H3,(H,14,18)(H,13,15,16)
InChIKeyMSQYOTKQCZPFTR-UHFFFAOYSA-N
MW295.37 g/mol
LogP2.13
Rot. Bonds4

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

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 42115494) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID42115494
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCc1nc(SCC(=O)Nc2cc(C(C)(C)C)no2)n[nH]1
InChIInChI=1S/C12H17N5O2S/c1-7-13-11(16-15-7)20-6-9(18)14-10-5-8(17-19-10)12(2,3)4/h5H,6H2,1-4H3,(H,14,18)(H,13,15,16)
InChIKeyMSQYOTKQCZPFTR-UHFFFAOYSA-N
XLogP2.13
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 28602799
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 7604693
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(2,4-dimethylphenyl)sulfanylacetamide
CID 17437229
2-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 81223074
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(2,6-dichlorophenyl)sulfanylacetamide
CID 7630749
2-(4-aminophenyl)sulfanyl-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 43299010
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
CID 66105148
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 27548922
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 18776443
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 7630825
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 43299575
N-(4-fluorophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 967637

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 42115494) is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is Cc1nc(SCC(=O)Nc2cc(C(C)(C)C)no2)n[nH]1.
What is the InChIKey of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is MSQYOTKQCZPFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-7-13-11(16-15-7)20-6-9(18)14-10-5-8(17-19-10)12(2,3)4/h5H,6H2,1-4H3,(H,14,18)(H,13,15,16).
What are the key properties of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 295.37 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 42115494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).