(3-phenyl-1,2-oxazol-5-yl)phosphonic acid

C9H8NO4P — CID 3079435

IUPAC(3-phenyl-1,2-oxazol-5-yl)phosphonic acid
SMILESO=P(O)(O)c1cc(-c2ccccc2)no1
InChIInChI=1S/C9H8NO4P/c11-15(12,13)9-6-8(10-14-9)7-4-2-1-3-5-7/h1-6H,(H2,11,12,13)
InChIKeyBGAJWGPVHJKOLJ-UHFFFAOYSA-N
MW225.14 g/mol
LogP1.14
Rot. Bonds2

About (3-phenyl-1,2-oxazol-5-yl)phosphonic acid

(3-phenyl-1,2-oxazol-5-yl)phosphonic acid (PubChem CID 3079435) has the molecular formula C9H8NO4P and a molecular weight of 225.14 g/mol. Its IUPAC name is (3-phenyl-1,2-oxazol-5-yl)phosphonic acid.

Molecular Properties

Compound Name(3-phenyl-1,2-oxazol-5-yl)phosphonic acid
PubChem CID3079435
Molecular FormulaC9H8NO4P
Molecular Weight225.14 g/mol
Exact Mass225.02
IUPAC Name(3-phenyl-1,2-oxazol-5-yl)phosphonic acid
SMILESO=P(O)(O)c1cc(-c2ccccc2)no1
InChIInChI=1S/C9H8NO4P/c11-15(12,13)9-6-8(10-14-9)7-4-2-1-3-5-7/h1-6H,(H2,11,12,13)
InChIKeyBGAJWGPVHJKOLJ-UHFFFAOYSA-N
XLogP1.14
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.14
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-phenyl-1,2-oxazol-5-yl)phosphonic acid?
The IUPAC name of (3-phenyl-1,2-oxazol-5-yl)phosphonic acid (CID 3079435) is (3-phenyl-1,2-oxazol-5-yl)phosphonic acid.
What is the SMILES notation for (3-phenyl-1,2-oxazol-5-yl)phosphonic acid?
The canonical SMILES for (3-phenyl-1,2-oxazol-5-yl)phosphonic acid is O=P(O)(O)c1cc(-c2ccccc2)no1.
What is the InChIKey of (3-phenyl-1,2-oxazol-5-yl)phosphonic acid?
The InChIKey is BGAJWGPVHJKOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8NO4P/c11-15(12,13)9-6-8(10-14-9)7-4-2-1-3-5-7/h1-6H,(H2,11,12,13).
What are the key properties of (3-phenyl-1,2-oxazol-5-yl)phosphonic acid?
(3-phenyl-1,2-oxazol-5-yl)phosphonic acid has a molecular weight of 225.14 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-1,2-oxazol-5-yl)phosphonic acid is sourced from PubChem (CID 3079435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).