2-(2,2-dimethylpropyl)-N-methylsulfanyl-1,3-oxazole-5-carboxamide

C10H16N2O2S — CID 147546607

IUPAC2-(2,2-dimethylpropyl)-N-methylsulfanyl-1,3-oxazole-5-carboxamide
SMILESCSNC(=O)c1cnc(CC(C)(C)C)o1
InChIInChI=1S/C10H16N2O2S/c1-10(2,3)5-8-11-6-7(14-8)9(13)12-15-4/h6H,5H2,1-4H3,(H,12,13)
InChIKeyFPYKISBPMUVKLX-UHFFFAOYSA-N
MW228.32 g/mol
LogP2.27
Rot. Bonds3

About 2-(2,2-dimethylpropyl)-N-methylsulfanyl-1,3-oxazole-5-carboxamide

2-(2,2-dimethylpropyl)-N-methylsulfanyl-1,3-oxazole-5-carboxamide (PubChem CID 147546607) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-N-methylsulfanyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-N-methylsulfanyl-1,3-oxazole-5-carboxamide
PubChem CID147546607
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name2-(2,2-dimethylpropyl)-N-methylsulfanyl-1,3-oxazole-5-carboxamide
SMILESCSNC(=O)c1cnc(CC(C)(C)C)o1
InChIInChI=1S/C10H16N2O2S/c1-10(2,3)5-8-11-6-7(14-8)9(13)12-15-4/h6H,5H2,1-4H3,(H,12,13)
InChIKeyFPYKISBPMUVKLX-UHFFFAOYSA-N
XLogP2.27
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-N-methylsulfanyl-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-(2,2-dimethylpropyl)-N-methylsulfanyl-1,3-oxazole-5-carboxamide (CID 147546607) is 2-(2,2-dimethylpropyl)-N-methylsulfanyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-N-methylsulfanyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-(2,2-dimethylpropyl)-N-methylsulfanyl-1,3-oxazole-5-carboxamide is CSNC(=O)c1cnc(CC(C)(C)C)o1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-N-methylsulfanyl-1,3-oxazole-5-carboxamide?
The InChIKey is FPYKISBPMUVKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-10(2,3)5-8-11-6-7(14-8)9(13)12-15-4/h6H,5H2,1-4H3,(H,12,13).
What are the key properties of 2-(2,2-dimethylpropyl)-N-methylsulfanyl-1,3-oxazole-5-carboxamide?
2-(2,2-dimethylpropyl)-N-methylsulfanyl-1,3-oxazole-5-carboxamide has a molecular weight of 228.32 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-N-methylsulfanyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 147546607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).