N-[dimethoxyphosphoryl-(2-fluorophenyl)methyl]-5-methyl-1,2-oxazol-3-amine

C13H16FN2O4P — CID 11551400

IUPACN-[dimethoxyphosphoryl-(2-fluorophenyl)methyl]-5-methyl-1,2-oxazol-3-amine
SMILESCOP(=O)(OC)C(Nc1cc(C)on1)c1ccccc1F
InChIInChI=1S/C13H16FN2O4P/c1-9-8-12(16-20-9)15-13(21(17,18-2)19-3)10-6-4-5-7-11(10)14/h4-8,13H,1-3H3,(H,15,16)
InChIKeyBMQYEJJICJYACK-UHFFFAOYSA-N
MW314.25 g/mol
LogP3.72
Rot. Bonds6

About N-[dimethoxyphosphoryl-(2-fluorophenyl)methyl]-5-methyl-1,2-oxazol-3-amine

N-[dimethoxyphosphoryl-(2-fluorophenyl)methyl]-5-methyl-1,2-oxazol-3-amine (PubChem CID 11551400) has the molecular formula C13H16FN2O4P and a molecular weight of 314.25 g/mol. Its IUPAC name is N-[dimethoxyphosphoryl-(2-fluorophenyl)methyl]-5-methyl-1,2-oxazol-3-amine.

Molecular Properties

Compound NameN-[dimethoxyphosphoryl-(2-fluorophenyl)methyl]-5-methyl-1,2-oxazol-3-amine
PubChem CID11551400
Molecular FormulaC13H16FN2O4P
Molecular Weight314.25 g/mol
Exact Mass314.08
IUPAC NameN-[dimethoxyphosphoryl-(2-fluorophenyl)methyl]-5-methyl-1,2-oxazol-3-amine
SMILESCOP(=O)(OC)C(Nc1cc(C)on1)c1ccccc1F
InChIInChI=1S/C13H16FN2O4P/c1-9-8-12(16-20-9)15-13(21(17,18-2)19-3)10-6-4-5-7-11(10)14/h4-8,13H,1-3H3,(H,15,16)
InChIKeyBMQYEJJICJYACK-UHFFFAOYSA-N
XLogP3.72
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.25
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[di(propan-2-yloxy)phosphoryl-(2-fluorophenyl)methyl]-6-methylpyridin-2-amine
CID 21210836
2-[[dimethoxyphosphoryl-(2-fluorophenyl)methyl]amino]acetic acid
CID 23275552
2-(2-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-2-morpholin-4-ylacetamide
CID 167824561
2-[[2-(2-fluorophenoxy)acetyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110671924
N-[diethoxyphosphoryl-(2-fluorophenyl)methyl]-3-nitroaniline
CID 21210822
N-[(R)-dimethoxyphosphoryl-(2-nitrophenyl)methyl]aniline
CID 7369569
methyl (E,4S)-4-(2-fluorophenyl)-4-hydroxybut-2-enoate
CID 124644295
3-fluoro-2-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 62649569
2-(2,6-difluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 109011324
N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560
1-[2-(2-fluorophenoxy)acetyl]-N-(5-methyl-1,2-oxazol-3-yl)azetidine-3-carboxamide
CID 90512577
2-fluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]ethyl]benzamide
CID 110345062

Frequently Asked Questions

What is the IUPAC name of N-[dimethoxyphosphoryl-(2-fluorophenyl)methyl]-5-methyl-1,2-oxazol-3-amine?
The IUPAC name of N-[dimethoxyphosphoryl-(2-fluorophenyl)methyl]-5-methyl-1,2-oxazol-3-amine (CID 11551400) is N-[dimethoxyphosphoryl-(2-fluorophenyl)methyl]-5-methyl-1,2-oxazol-3-amine.
What is the SMILES notation for N-[dimethoxyphosphoryl-(2-fluorophenyl)methyl]-5-methyl-1,2-oxazol-3-amine?
The canonical SMILES for N-[dimethoxyphosphoryl-(2-fluorophenyl)methyl]-5-methyl-1,2-oxazol-3-amine is COP(=O)(OC)C(Nc1cc(C)on1)c1ccccc1F.
What is the InChIKey of N-[dimethoxyphosphoryl-(2-fluorophenyl)methyl]-5-methyl-1,2-oxazol-3-amine?
The InChIKey is BMQYEJJICJYACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN2O4P/c1-9-8-12(16-20-9)15-13(21(17,18-2)19-3)10-6-4-5-7-11(10)14/h4-8,13H,1-3H3,(H,15,16).
What are the key properties of N-[dimethoxyphosphoryl-(2-fluorophenyl)methyl]-5-methyl-1,2-oxazol-3-amine?
N-[dimethoxyphosphoryl-(2-fluorophenyl)methyl]-5-methyl-1,2-oxazol-3-amine has a molecular weight of 314.25 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dimethoxyphosphoryl-(2-fluorophenyl)methyl]-5-methyl-1,2-oxazol-3-amine is sourced from PubChem (CID 11551400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).