2-tert-butyl-4-dimethoxyphosphoryl-1,3-oxazole

C9H16NO4P — CID 155787831

IUPAC2-tert-butyl-4-dimethoxyphosphoryl-1,3-oxazole
SMILESCOP(=O)(OC)c1coc(C(C)(C)C)n1
InChIInChI=1S/C9H16NO4P/c1-9(2,3)8-10-7(6-14-8)15(11,12-4)13-5/h6H,1-5H3
InChIKeyJXGQYOIVUYNOCQ-UHFFFAOYSA-N
MW233.20 g/mol
LogP2.08
Rot. Bonds3

About 2-tert-butyl-4-dimethoxyphosphoryl-1,3-oxazole

2-tert-butyl-4-dimethoxyphosphoryl-1,3-oxazole (PubChem CID 155787831) has the molecular formula C9H16NO4P and a molecular weight of 233.20 g/mol. Its IUPAC name is 2-tert-butyl-4-dimethoxyphosphoryl-1,3-oxazole.

Molecular Properties

Compound Name2-tert-butyl-4-dimethoxyphosphoryl-1,3-oxazole
PubChem CID155787831
Molecular FormulaC9H16NO4P
Molecular Weight233.20 g/mol
Exact Mass233.08
IUPAC Name2-tert-butyl-4-dimethoxyphosphoryl-1,3-oxazole
SMILESCOP(=O)(OC)c1coc(C(C)(C)C)n1
InChIInChI=1S/C9H16NO4P/c1-9(2,3)8-10-7(6-14-8)15(11,12-4)13-5/h6H,1-5H3
InChIKeyJXGQYOIVUYNOCQ-UHFFFAOYSA-N
XLogP2.08
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.20
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-dimethoxyphosphoryl-1,3-oxazole?
The IUPAC name of 2-tert-butyl-4-dimethoxyphosphoryl-1,3-oxazole (CID 155787831) is 2-tert-butyl-4-dimethoxyphosphoryl-1,3-oxazole.
What is the SMILES notation for 2-tert-butyl-4-dimethoxyphosphoryl-1,3-oxazole?
The canonical SMILES for 2-tert-butyl-4-dimethoxyphosphoryl-1,3-oxazole is COP(=O)(OC)c1coc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-dimethoxyphosphoryl-1,3-oxazole?
The InChIKey is JXGQYOIVUYNOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16NO4P/c1-9(2,3)8-10-7(6-14-8)15(11,12-4)13-5/h6H,1-5H3.
What are the key properties of 2-tert-butyl-4-dimethoxyphosphoryl-1,3-oxazole?
2-tert-butyl-4-dimethoxyphosphoryl-1,3-oxazole has a molecular weight of 233.20 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-dimethoxyphosphoryl-1,3-oxazole is sourced from PubChem (CID 155787831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).