hydroxy-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]oxy]-oxophosphanium

C10H11NO4P+ — CID 175319354

IUPAChydroxy-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]oxy]-oxophosphanium
SMILESCc1ccc(C2=NOC(O[P+](=O)O)C2)cc1
InChIInChI=1S/C10H10NO4P/c1-7-2-4-8(5-3-7)9-6-10(14-11-9)15-16(12)13/h2-5,10H,6H2,1H3/p+1
InChIKeyOTNJBRUDQCGCNE-UHFFFAOYSA-O
MW240.18 g/mol
LogP2.11
Rot. Bonds3

About hydroxy-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]oxy]-oxophosphanium

hydroxy-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]oxy]-oxophosphanium (PubChem CID 175319354) has the molecular formula C10H11NO4P+ and a molecular weight of 240.18 g/mol. Its IUPAC name is hydroxy-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]oxy]-oxophosphanium.

Molecular Properties

Compound Namehydroxy-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]oxy]-oxophosphanium
PubChem CID175319354
Molecular FormulaC10H11NO4P+
Molecular Weight240.18 g/mol
Exact Mass240.04
IUPAC Namehydroxy-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]oxy]-oxophosphanium
SMILESCc1ccc(C2=NOC(O[P+](=O)O)C2)cc1
InChIInChI=1S/C10H10NO4P/c1-7-2-4-8(5-3-7)9-6-10(14-11-9)15-16(12)13/h2-5,10H,6H2,1H3/p+1
InChIKeyOTNJBRUDQCGCNE-UHFFFAOYSA-O
XLogP2.11
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 52.11
H-Bond Donors ≤ 51
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 hydroxy-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]oxy]-oxophosphanium?
The IUPAC name of hydroxy-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]oxy]-oxophosphanium (CID 175319354) is hydroxy-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]oxy]-oxophosphanium.
What is the SMILES notation for hydroxy-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]oxy]-oxophosphanium?
The canonical SMILES for hydroxy-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]oxy]-oxophosphanium is Cc1ccc(C2=NOC(O[P+](=O)O)C2)cc1.
What is the InChIKey of hydroxy-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]oxy]-oxophosphanium?
The InChIKey is OTNJBRUDQCGCNE-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H10NO4P/c1-7-2-4-8(5-3-7)9-6-10(14-11-9)15-16(12)13/h2-5,10H,6H2,1H3/p+1.
What are the key properties of hydroxy-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]oxy]-oxophosphanium?
hydroxy-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]oxy]-oxophosphanium has a molecular weight of 240.18 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]oxy]-oxophosphanium is sourced from PubChem (CID 175319354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).