N-[bis(diethoxyphosphoryl)methyl]-2-methyl-1,3-oxazol-5-amine

C13H26N2O7P2 — CID 56926046

IUPACN-[bis(diethoxyphosphoryl)methyl]-2-methyl-1,3-oxazol-5-amine
SMILESCCOP(=O)(OCC)C(Nc1cnc(C)o1)P(=O)(OCC)OCC
InChIInChI=1S/C13H26N2O7P2/c1-6-18-23(16,19-7-2)13(15-12-10-14-11(5)22-12)24(17,20-8-3)21-9-4/h10,13,15H,6-9H2,1-5H3
InChIKeyLUSQYYKPYBITLY-UHFFFAOYSA-N
MW384.31 g/mol
LogP4.21
Rot. Bonds12

About N-[bis(diethoxyphosphoryl)methyl]-2-methyl-1,3-oxazol-5-amine

N-[bis(diethoxyphosphoryl)methyl]-2-methyl-1,3-oxazol-5-amine (PubChem CID 56926046) has the molecular formula C13H26N2O7P2 and a molecular weight of 384.31 g/mol. Its IUPAC name is N-[bis(diethoxyphosphoryl)methyl]-2-methyl-1,3-oxazol-5-amine.

Molecular Properties

Compound NameN-[bis(diethoxyphosphoryl)methyl]-2-methyl-1,3-oxazol-5-amine
PubChem CID56926046
Molecular FormulaC13H26N2O7P2
Molecular Weight384.31 g/mol
Exact Mass384.12
IUPAC NameN-[bis(diethoxyphosphoryl)methyl]-2-methyl-1,3-oxazol-5-amine
SMILESCCOP(=O)(OCC)C(Nc1cnc(C)o1)P(=O)(OCC)OCC
InChIInChI=1S/C13H26N2O7P2/c1-6-18-23(16,19-7-2)13(15-12-10-14-11(5)22-12)24(17,20-8-3)21-9-4/h10,13,15H,6-9H2,1-5H3
InChIKeyLUSQYYKPYBITLY-UHFFFAOYSA-N
XLogP4.21
TPSA109.12 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.31
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-[bis(diethoxyphosphoryl)methyl]-2-methyl-1,3-oxazol-5-amine 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 N-[bis(diethoxyphosphoryl)methyl]-2-methyl-1,3-oxazol-5-amine?
The IUPAC name of N-[bis(diethoxyphosphoryl)methyl]-2-methyl-1,3-oxazol-5-amine (CID 56926046) is N-[bis(diethoxyphosphoryl)methyl]-2-methyl-1,3-oxazol-5-amine.
What is the SMILES notation for N-[bis(diethoxyphosphoryl)methyl]-2-methyl-1,3-oxazol-5-amine?
The canonical SMILES for N-[bis(diethoxyphosphoryl)methyl]-2-methyl-1,3-oxazol-5-amine is CCOP(=O)(OCC)C(Nc1cnc(C)o1)P(=O)(OCC)OCC.
What is the InChIKey of N-[bis(diethoxyphosphoryl)methyl]-2-methyl-1,3-oxazol-5-amine?
The InChIKey is LUSQYYKPYBITLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O7P2/c1-6-18-23(16,19-7-2)13(15-12-10-14-11(5)22-12)24(17,20-8-3)21-9-4/h10,13,15H,6-9H2,1-5H3.
What are the key properties of N-[bis(diethoxyphosphoryl)methyl]-2-methyl-1,3-oxazol-5-amine?
N-[bis(diethoxyphosphoryl)methyl]-2-methyl-1,3-oxazol-5-amine has a molecular weight of 384.31 g/mol, XLogP of 4.21, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(diethoxyphosphoryl)methyl]-2-methyl-1,3-oxazol-5-amine is sourced from PubChem (CID 56926046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).