[[[5-(2-phenylethenyl)-1,2-oxazol-3-yl]amino]-phosphonomethyl]phosphonic acid

C12H14N2O7P2 — CID 88520862

IUPAC[[[5-(2-phenylethenyl)-1,2-oxazol-3-yl]amino]-phosphonomethyl]phosphonic acid
SMILESO=P(O)(O)C(Nc1cc(C=Cc2ccccc2)on1)P(=O)(O)O
InChIInChI=1S/C12H14N2O7P2/c15-22(16,17)12(23(18,19)20)13-11-8-10(21-14-11)7-6-9-4-2-1-3-5-9/h1-8,12H,(H,13,14)(H2,15,16,17)(H2,18,19,20)
InChIKeyZAWMKTLLOAJJGN-UHFFFAOYSA-N
MW360.20 g/mol
LogP1.90
Rot. Bonds6

About [[[5-(2-phenylethenyl)-1,2-oxazol-3-yl]amino]-phosphonomethyl]phosphonic acid

[[[5-(2-phenylethenyl)-1,2-oxazol-3-yl]amino]-phosphonomethyl]phosphonic acid (PubChem CID 88520862) has the molecular formula C12H14N2O7P2 and a molecular weight of 360.20 g/mol. Its IUPAC name is [[[5-(2-phenylethenyl)-1,2-oxazol-3-yl]amino]-phosphonomethyl]phosphonic acid.

Molecular Properties

Compound Name[[[5-(2-phenylethenyl)-1,2-oxazol-3-yl]amino]-phosphonomethyl]phosphonic acid
PubChem CID88520862
Molecular FormulaC12H14N2O7P2
Molecular Weight360.20 g/mol
Exact Mass360.03
IUPAC Name[[[5-(2-phenylethenyl)-1,2-oxazol-3-yl]amino]-phosphonomethyl]phosphonic acid
SMILESO=P(O)(O)C(Nc1cc(C=Cc2ccccc2)on1)P(=O)(O)O
InChIInChI=1S/C12H14N2O7P2/c15-22(16,17)12(23(18,19)20)13-11-8-10(21-14-11)7-6-9-4-2-1-3-5-9/h1-8,12H,(H,13,14)(H2,15,16,17)(H2,18,19,20)
InChIKeyZAWMKTLLOAJJGN-UHFFFAOYSA-N
XLogP1.90
TPSA153.12 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.20
LogP ≤ 51.90
H-Bond Donors ≤ 55
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 [[[5-(2-phenylethenyl)-1,2-oxazol-3-yl]amino]-phosphonomethyl]phosphonic acid?
The IUPAC name of [[[5-(2-phenylethenyl)-1,2-oxazol-3-yl]amino]-phosphonomethyl]phosphonic acid (CID 88520862) is [[[5-(2-phenylethenyl)-1,2-oxazol-3-yl]amino]-phosphonomethyl]phosphonic acid.
What is the SMILES notation for [[[5-(2-phenylethenyl)-1,2-oxazol-3-yl]amino]-phosphonomethyl]phosphonic acid?
The canonical SMILES for [[[5-(2-phenylethenyl)-1,2-oxazol-3-yl]amino]-phosphonomethyl]phosphonic acid is O=P(O)(O)C(Nc1cc(C=Cc2ccccc2)on1)P(=O)(O)O.
What is the InChIKey of [[[5-(2-phenylethenyl)-1,2-oxazol-3-yl]amino]-phosphonomethyl]phosphonic acid?
The InChIKey is ZAWMKTLLOAJJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O7P2/c15-22(16,17)12(23(18,19)20)13-11-8-10(21-14-11)7-6-9-4-2-1-3-5-9/h1-8,12H,(H,13,14)(H2,15,16,17)(H2,18,19,20).
What are the key properties of [[[5-(2-phenylethenyl)-1,2-oxazol-3-yl]amino]-phosphonomethyl]phosphonic acid?
[[[5-(2-phenylethenyl)-1,2-oxazol-3-yl]amino]-phosphonomethyl]phosphonic acid has a molecular weight of 360.20 g/mol, XLogP of 1.90, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[[5-(2-phenylethenyl)-1,2-oxazol-3-yl]amino]-phosphonomethyl]phosphonic acid is sourced from PubChem (CID 88520862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).