sodium;hydride;[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl] dihydrogen phosphate

C19H21NNaO9P — CID 173032615

IUPACsodium;hydride;[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl] dihydrogen phosphate
SMILESCOc1ccc(-c2conc2-c2cc(OC)c(OC)c(OC)c2)cc1OP(=O)(O)O.[H-].[Na+]
InChIInChI=1S/C19H20NO9P.Na.H/c1-24-14-6-5-11(7-15(14)29-30(21,22)23)13-10-28-20-18(13)12-8-16(25-2)19(27-4)17(9-12)26-3;;/h5-10H,1-4H3,(H2,21,22,23);;/q;+1;-1
InChIKeyJGOCWZMHHVTJOF-UHFFFAOYSA-N
MW461.34 g/mol
LogP0.63
Rot. Bonds8

About sodium;hydride;[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl] dihydrogen phosphate

sodium;hydride;[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl] dihydrogen phosphate (PubChem CID 173032615) has the molecular formula C19H21NNaO9P and a molecular weight of 461.34 g/mol. Its IUPAC name is sodium;hydride;[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl] dihydrogen phosphate.

Molecular Properties

Compound Namesodium;hydride;[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl] dihydrogen phosphate
PubChem CID173032615
Molecular FormulaC19H21NNaO9P
Molecular Weight461.34 g/mol
Exact Mass461.09
IUPAC Namesodium;hydride;[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl] dihydrogen phosphate
SMILESCOc1ccc(-c2conc2-c2cc(OC)c(OC)c(OC)c2)cc1OP(=O)(O)O.[H-].[Na+]
InChIInChI=1S/C19H20NO9P.Na.H/c1-24-14-6-5-11(7-15(14)29-30(21,22)23)13-10-28-20-18(13)12-8-16(25-2)19(27-4)17(9-12)26-3;;/h5-10H,1-4H3,(H2,21,22,23);;/q;+1;-1
InChIKeyJGOCWZMHHVTJOF-UHFFFAOYSA-N
XLogP0.63
TPSA129.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.34
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2,3-dimethoxyphenyl] dihydrogen phosphate
CID 58178345
4-(3-fluoro-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 58177948
4-(4-propan-2-ylphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 58712207
4-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide
CID 135391735
methyl 5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxybenzoate
CID 58178223
4-(3,4-dimethoxyphenyl)-3-(2,3,5-trimethoxyphenyl)-1,2-oxazole
CID 58178080
sodium;hydride;[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl] dihydrogen phosphate
CID 173007607
2-amino-N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]-2-phenylacetamide
CID 58712186
sodium;hydride;[5-methoxy-2-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl] dihydrogen phosphate
CID 173007649
[3-carboxy-1-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]anilino]-1-oxopropan-2-yl]azanium
CID 58712217
2-amino-N-[5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxyphenyl]propanamide;hydrochloride
CID 123477282
[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl] dihydrogen phosphate
CID 59430247

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl] dihydrogen phosphate?
The IUPAC name of sodium;hydride;[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl] dihydrogen phosphate (CID 173032615) is sodium;hydride;[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl] dihydrogen phosphate.
What is the SMILES notation for sodium;hydride;[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl] dihydrogen phosphate?
The canonical SMILES for sodium;hydride;[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl] dihydrogen phosphate is COc1ccc(-c2conc2-c2cc(OC)c(OC)c(OC)c2)cc1OP(=O)(O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl] dihydrogen phosphate?
The InChIKey is JGOCWZMHHVTJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20NO9P.Na.H/c1-24-14-6-5-11(7-15(14)29-30(21,22)23)13-10-28-20-18(13)12-8-16(25-2)19(27-4)17(9-12)26-3;;/h5-10H,1-4H3,(H2,21,22,23);;/q;+1;-1.
What are the key properties of sodium;hydride;[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl] dihydrogen phosphate?
sodium;hydride;[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl] dihydrogen phosphate has a molecular weight of 461.34 g/mol, XLogP of 0.63, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl] dihydrogen phosphate is sourced from PubChem (CID 173032615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).