1,2-oxazol-3-amine;propan-2-yl dihydrogen phosphate

C6H13N2O5P — CID 175603853

IUPAC1,2-oxazol-3-amine;propan-2-yl dihydrogen phosphate
SMILESCC(C)OP(=O)(O)O.Nc1ccon1
InChIInChI=1S/C3H4N2O.C3H9O4P/c4-3-1-2-6-5-3;1-3(2)7-8(4,5)6/h1-2H,(H2,4,5);3H,1-2H3,(H2,4,5,6)
InChIKeyYEFAQZYXPXKZHV-UHFFFAOYSA-N
MW224.15 g/mol
LogP0.76
Rot. Bonds2

About 1,2-oxazol-3-amine;propan-2-yl dihydrogen phosphate

1,2-oxazol-3-amine;propan-2-yl dihydrogen phosphate (PubChem CID 175603853) has the molecular formula C6H13N2O5P and a molecular weight of 224.15 g/mol. Its IUPAC name is 1,2-oxazol-3-amine;propan-2-yl dihydrogen phosphate.

Molecular Properties

Compound Name1,2-oxazol-3-amine;propan-2-yl dihydrogen phosphate
PubChem CID175603853
Molecular FormulaC6H13N2O5P
Molecular Weight224.15 g/mol
Exact Mass224.06
IUPAC Name1,2-oxazol-3-amine;propan-2-yl dihydrogen phosphate
SMILESCC(C)OP(=O)(O)O.Nc1ccon1
InChIInChI=1S/C3H4N2O.C3H9O4P/c4-3-1-2-6-5-3;1-3(2)7-8(4,5)6/h1-2H,(H2,4,5);3H,1-2H3,(H2,4,5,6)
InChIKeyYEFAQZYXPXKZHV-UHFFFAOYSA-N
XLogP0.76
TPSA118.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.15
LogP ≤ 50.76
H-Bond Donors ≤ 53
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 1,2-oxazol-3-amine;propan-2-yl dihydrogen phosphate?
The IUPAC name of 1,2-oxazol-3-amine;propan-2-yl dihydrogen phosphate (CID 175603853) is 1,2-oxazol-3-amine;propan-2-yl dihydrogen phosphate.
What is the SMILES notation for 1,2-oxazol-3-amine;propan-2-yl dihydrogen phosphate?
The canonical SMILES for 1,2-oxazol-3-amine;propan-2-yl dihydrogen phosphate is CC(C)OP(=O)(O)O.Nc1ccon1.
What is the InChIKey of 1,2-oxazol-3-amine;propan-2-yl dihydrogen phosphate?
The InChIKey is YEFAQZYXPXKZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2O.C3H9O4P/c4-3-1-2-6-5-3;1-3(2)7-8(4,5)6/h1-2H,(H2,4,5);3H,1-2H3,(H2,4,5,6).
What are the key properties of 1,2-oxazol-3-amine;propan-2-yl dihydrogen phosphate?
1,2-oxazol-3-amine;propan-2-yl dihydrogen phosphate has a molecular weight of 224.15 g/mol, XLogP of 0.76, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazol-3-amine;propan-2-yl dihydrogen phosphate is sourced from PubChem (CID 175603853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).