2-(dimethoxyphosphorylmethyl)-4,5-dihydro-1,3-oxazole

C6H12NO4P — CID 4197963

IUPAC2-(dimethoxyphosphorylmethyl)-4,5-dihydro-1,3-oxazole
SMILESCOP(=O)(CC1=NCCO1)OC
InChIInChI=1S/C6H12NO4P/c1-9-12(8,10-2)5-6-7-3-4-11-6/h3-5H2,1-2H3
InChIKeyQTIVQVIKUHOMRZ-UHFFFAOYSA-N
MW193.14 g/mol
LogP0.90
Rot. Bonds4

About 2-(dimethoxyphosphorylmethyl)-4,5-dihydro-1,3-oxazole

2-(dimethoxyphosphorylmethyl)-4,5-dihydro-1,3-oxazole (PubChem CID 4197963) has the molecular formula C6H12NO4P and a molecular weight of 193.14 g/mol. Its IUPAC name is 2-(dimethoxyphosphorylmethyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(dimethoxyphosphorylmethyl)-4,5-dihydro-1,3-oxazole
PubChem CID4197963
Molecular FormulaC6H12NO4P
Molecular Weight193.14 g/mol
Exact Mass193.05
IUPAC Name2-(dimethoxyphosphorylmethyl)-4,5-dihydro-1,3-oxazole
SMILESCOP(=O)(CC1=NCCO1)OC
InChIInChI=1S/C6H12NO4P/c1-9-12(8,10-2)5-6-7-3-4-11-6/h3-5H2,1-2H3
InChIKeyQTIVQVIKUHOMRZ-UHFFFAOYSA-N
XLogP0.90
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.14
LogP ≤ 50.90
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-(dimethoxyphosphorylmethyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(dimethoxyphosphorylmethyl)-4,5-dihydro-1,3-oxazole (CID 4197963) is 2-(dimethoxyphosphorylmethyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(dimethoxyphosphorylmethyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(dimethoxyphosphorylmethyl)-4,5-dihydro-1,3-oxazole is COP(=O)(CC1=NCCO1)OC.
What is the InChIKey of 2-(dimethoxyphosphorylmethyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is QTIVQVIKUHOMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NO4P/c1-9-12(8,10-2)5-6-7-3-4-11-6/h3-5H2,1-2H3.
What are the key properties of 2-(dimethoxyphosphorylmethyl)-4,5-dihydro-1,3-oxazole?
2-(dimethoxyphosphorylmethyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 193.14 g/mol, XLogP of 0.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethoxyphosphorylmethyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 4197963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).