hydroxy-methoxy-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-methylphosphanium

C12H15NO4P+ — CID 57029038

IUPAChydroxy-methoxy-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-methylphosphanium
SMILESCOc1ccc(-c2cc([P+](C)(O)OC)on2)cc1
InChIInChI=1S/C12H15NO4P/c1-15-10-6-4-9(5-7-10)11-8-12(17-13-11)18(3,14)16-2/h4-8,14H,1-3H3/q+1
InChIKeyBJUMJVJUKIUTGZ-UHFFFAOYSA-N
MW268.23 g/mol
LogP2.09
Rot. Bonds4

About hydroxy-methoxy-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-methylphosphanium

hydroxy-methoxy-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-methylphosphanium (PubChem CID 57029038) has the molecular formula C12H15NO4P+ and a molecular weight of 268.23 g/mol. Its IUPAC name is hydroxy-methoxy-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-methylphosphanium.

Molecular Properties

Compound Namehydroxy-methoxy-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-methylphosphanium
PubChem CID57029038
Molecular FormulaC12H15NO4P+
Molecular Weight268.23 g/mol
Exact Mass268.07
IUPAC Namehydroxy-methoxy-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-methylphosphanium
SMILESCOc1ccc(-c2cc([P+](C)(O)OC)on2)cc1
InChIInChI=1S/C12H15NO4P/c1-15-10-6-4-9(5-7-10)11-8-12(17-13-11)18(3,14)16-2/h4-8,14H,1-3H3/q+1
InChIKeyBJUMJVJUKIUTGZ-UHFFFAOYSA-N
XLogP2.09
TPSA64.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,5-bis(4-methoxyphenyl)-1,2-oxazole
CID 10956920
3-(4-methoxyphenyl)-5-methylsulfanyl-1,2-oxazole
CID 5325027
2-[4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]phenyl]propanoic acid
CID 3061216
3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 91309550
2-iodo-N-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide
CID 13362982
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate
CID 46892996
3-(4-methoxyphenyl)-1,2-oxazole-5-sulfonyl chloride
CID 125425595
(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66262874
3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]butan-2-ol
CID 14568875
1-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 67637838
3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1,2-oxazole
CID 58157241
1-[6-(4-methoxyphenyl)-2-methyl-3-pyridinyl]ethanol
CID 66490069

Frequently Asked Questions

What is the IUPAC name of hydroxy-methoxy-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-methylphosphanium?
The IUPAC name of hydroxy-methoxy-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-methylphosphanium (CID 57029038) is hydroxy-methoxy-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-methylphosphanium.
What is the SMILES notation for hydroxy-methoxy-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-methylphosphanium?
The canonical SMILES for hydroxy-methoxy-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-methylphosphanium is COc1ccc(-c2cc([P+](C)(O)OC)on2)cc1.
What is the InChIKey of hydroxy-methoxy-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-methylphosphanium?
The InChIKey is BJUMJVJUKIUTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4P/c1-15-10-6-4-9(5-7-10)11-8-12(17-13-11)18(3,14)16-2/h4-8,14H,1-3H3/q+1.
What are the key properties of hydroxy-methoxy-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-methylphosphanium?
hydroxy-methoxy-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-methylphosphanium has a molecular weight of 268.23 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-methoxy-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-methylphosphanium is sourced from PubChem (CID 57029038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).