[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phosphonic acid

C10H12NO5P — CID 3079438

IUPAC[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phosphonic acid
SMILESCOc1ccc(C2=NOC(P(=O)(O)O)C2)cc1
InChIInChI=1S/C10H12NO5P/c1-15-8-4-2-7(3-5-8)9-6-10(16-11-9)17(12,13)14/h2-5,10H,6H2,1H3,(H2,12,13,14)
InChIKeyOUNDRSNLASLHBW-UHFFFAOYSA-N
MW257.18 g/mol
LogP1.32
Rot. Bonds3

About [3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phosphonic acid

[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phosphonic acid (PubChem CID 3079438) has the molecular formula C10H12NO5P and a molecular weight of 257.18 g/mol. Its IUPAC name is [3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phosphonic acid.

Molecular Properties

Compound Name[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phosphonic acid
PubChem CID3079438
Molecular FormulaC10H12NO5P
Molecular Weight257.18 g/mol
Exact Mass257.05
IUPAC Name[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phosphonic acid
SMILESCOc1ccc(C2=NOC(P(=O)(O)O)C2)cc1
InChIInChI=1S/C10H12NO5P/c1-15-8-4-2-7(3-5-8)9-6-10(16-11-9)17(12,13)14/h2-5,10H,6H2,1H3,(H2,12,13,14)
InChIKeyOUNDRSNLASLHBW-UHFFFAOYSA-N
XLogP1.32
TPSA88.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.18
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phosphonic acid?
The IUPAC name of [3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phosphonic acid (CID 3079438) is [3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phosphonic acid.
What is the SMILES notation for [3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phosphonic acid?
The canonical SMILES for [3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phosphonic acid is COc1ccc(C2=NOC(P(=O)(O)O)C2)cc1.
What is the InChIKey of [3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phosphonic acid?
The InChIKey is OUNDRSNLASLHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12NO5P/c1-15-8-4-2-7(3-5-8)9-6-10(16-11-9)17(12,13)14/h2-5,10H,6H2,1H3,(H2,12,13,14).
What are the key properties of [3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phosphonic acid?
[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phosphonic acid has a molecular weight of 257.18 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phosphonic acid is sourced from PubChem (CID 3079438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).