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

C19H18NO8P-2 — CID 58178020

IUPAC[2-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-5-methoxyphenyl] 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)/p-2
InChIKeyHGJQNMGPVHXNMV-UHFFFAOYSA-L
MW419.33 g/mol
LogP2.55
Rot. Bonds7

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

[2-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-5-methoxyphenyl] phosphate (PubChem CID 58178020) has the molecular formula C19H18NO8P-2 and a molecular weight of 419.33 g/mol. Its IUPAC name is [2-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-5-methoxyphenyl] phosphate.

Molecular Properties

Compound Name[2-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-5-methoxyphenyl] phosphate
PubChem CID58178020
Molecular FormulaC19H18NO8P-2
Molecular Weight419.33 g/mol
Exact Mass419.08
IUPAC Name[2-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-5-methoxyphenyl] 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)/p-2
InChIKeyHGJQNMGPVHXNMV-UHFFFAOYSA-L
XLogP2.55
TPSA126.14 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.33
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-5-methoxyphenyl] phosphate?
The IUPAC name of [2-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-5-methoxyphenyl] phosphate (CID 58178020) is [2-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-5-methoxyphenyl] phosphate.
What is the SMILES notation for [2-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-5-methoxyphenyl] phosphate?
The canonical SMILES for [2-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-5-methoxyphenyl] 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] phosphate?
The InChIKey is HGJQNMGPVHXNMV-UHFFFAOYSA-L. 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)/p-2.
What are the key properties of [2-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-5-methoxyphenyl] phosphate?
[2-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-5-methoxyphenyl] phosphate has a molecular weight of 419.33 g/mol, XLogP of 2.55, 7 rotatable bonds, 0 hydrogen bond donors, and 9 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] phosphate is sourced from PubChem (CID 58178020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).