[2-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-5-methoxyphenyl] dihydrogen phosphate

C19H20NO8P — CID 58178021

IUPAC[2-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-5-methoxyphenyl] dihydrogen phosphate
SMILESCOc1ccc(-c2conc2-c2cc(C)c(OC)c(OC)c2)c(OP(=O)(O)O)c1
InChIInChI=1S/C19H20NO8P/c1-11-7-12(8-17(25-3)19(11)26-4)18-15(10-27-20-18)14-6-5-13(24-2)9-16(14)28-29(21,22)23/h5-10H,1-4H3,(H2,21,22,23)
InChIKeyHGJQNMGPVHXNMV-UHFFFAOYSA-N
MW421.34 g/mol
LogP3.81
Rot. Bonds7

About [2-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-5-methoxyphenyl] dihydrogen phosphate

[2-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-5-methoxyphenyl] dihydrogen phosphate (PubChem CID 58178021) has the molecular formula C19H20NO8P and a molecular weight of 421.34 g/mol. Its IUPAC name is [2-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-5-methoxyphenyl] dihydrogen phosphate.

Molecular Properties

Compound Name[2-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-5-methoxyphenyl] dihydrogen phosphate
PubChem CID58178021
Molecular FormulaC19H20NO8P
Molecular Weight421.34 g/mol
Exact Mass421.09
IUPAC Name[2-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-5-methoxyphenyl] dihydrogen phosphate
SMILESCOc1ccc(-c2conc2-c2cc(C)c(OC)c(OC)c2)c(OP(=O)(O)O)c1
InChIInChI=1S/C19H20NO8P/c1-11-7-12(8-17(25-3)19(11)26-4)18-15(10-27-20-18)14-6-5-13(24-2)9-16(14)28-29(21,22)23/h5-10H,1-4H3,(H2,21,22,23)
InChIKeyHGJQNMGPVHXNMV-UHFFFAOYSA-N
XLogP3.81
TPSA120.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.34
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [2-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-5-methoxyphenyl] dihydrogen phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-5-methoxyphenyl] dihydrogen phosphate?
The IUPAC name of [2-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-5-methoxyphenyl] dihydrogen phosphate (CID 58178021) is [2-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-5-methoxyphenyl] dihydrogen phosphate.
What is the SMILES notation for [2-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-5-methoxyphenyl] dihydrogen phosphate?
The canonical SMILES for [2-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-5-methoxyphenyl] dihydrogen phosphate is COc1ccc(-c2conc2-c2cc(C)c(OC)c(OC)c2)c(OP(=O)(O)O)c1.
What is the InChIKey of [2-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-5-methoxyphenyl] dihydrogen phosphate?
The InChIKey is HGJQNMGPVHXNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20NO8P/c1-11-7-12(8-17(25-3)19(11)26-4)18-15(10-27-20-18)14-6-5-13(24-2)9-16(14)28-29(21,22)23/h5-10H,1-4H3,(H2,21,22,23).
What are the key properties of [2-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-5-methoxyphenyl] dihydrogen phosphate?
[2-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-5-methoxyphenyl] dihydrogen phosphate has a molecular weight of 421.34 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-5-methoxyphenyl] dihydrogen phosphate is sourced from PubChem (CID 58178021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).