bis(4,5-dihydro-1,3-oxazol-2-yl)-dihydroxy-phenyl-λ5-phosphane

C12H15N2O4P — CID 90783243

IUPACbis(4,5-dihydro-1,3-oxazol-2-yl)-dihydroxy-phenyl-λ5-phosphane
SMILESOP(O)(C1=NCCO1)(C1=NCCO1)c1ccccc1
InChIInChI=1S/C12H15N2O4P/c15-19(16,11-13-6-8-17-11,12-14-7-9-18-12)10-4-2-1-3-5-10/h1-5,15-16H,6-9H2
InChIKeyVSNJWWPBBCBEGK-UHFFFAOYSA-N
MW282.24 g/mol
LogP0.45
Rot. Bonds3

About bis(4,5-dihydro-1,3-oxazol-2-yl)-dihydroxy-phenyl-λ5-phosphane

bis(4,5-dihydro-1,3-oxazol-2-yl)-dihydroxy-phenyl-λ5-phosphane (PubChem CID 90783243) has the molecular formula C12H15N2O4P and a molecular weight of 282.24 g/mol. Its IUPAC name is bis(4,5-dihydro-1,3-oxazol-2-yl)-dihydroxy-phenyl-λ5-phosphane.

Molecular Properties

Compound Namebis(4,5-dihydro-1,3-oxazol-2-yl)-dihydroxy-phenyl-λ5-phosphane
PubChem CID90783243
Molecular FormulaC12H15N2O4P
Molecular Weight282.24 g/mol
Exact Mass282.08
IUPAC Namebis(4,5-dihydro-1,3-oxazol-2-yl)-dihydroxy-phenyl-λ5-phosphane
SMILESOP(O)(C1=NCCO1)(C1=NCCO1)c1ccccc1
InChIInChI=1S/C12H15N2O4P/c15-19(16,11-13-6-8-17-11,12-14-7-9-18-12)10-4-2-1-3-5-10/h1-5,15-16H,6-9H2
InChIKeyVSNJWWPBBCBEGK-UHFFFAOYSA-N
XLogP0.45
TPSA83.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.24
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(4,5-dihydro-1,3-oxazol-2-yl)-dihydroxy-phenyl-λ5-phosphane?
The IUPAC name of bis(4,5-dihydro-1,3-oxazol-2-yl)-dihydroxy-phenyl-λ5-phosphane (CID 90783243) is bis(4,5-dihydro-1,3-oxazol-2-yl)-dihydroxy-phenyl-λ5-phosphane.
What is the SMILES notation for bis(4,5-dihydro-1,3-oxazol-2-yl)-dihydroxy-phenyl-λ5-phosphane?
The canonical SMILES for bis(4,5-dihydro-1,3-oxazol-2-yl)-dihydroxy-phenyl-λ5-phosphane is OP(O)(C1=NCCO1)(C1=NCCO1)c1ccccc1.
What is the InChIKey of bis(4,5-dihydro-1,3-oxazol-2-yl)-dihydroxy-phenyl-λ5-phosphane?
The InChIKey is VSNJWWPBBCBEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N2O4P/c15-19(16,11-13-6-8-17-11,12-14-7-9-18-12)10-4-2-1-3-5-10/h1-5,15-16H,6-9H2.
What are the key properties of bis(4,5-dihydro-1,3-oxazol-2-yl)-dihydroxy-phenyl-λ5-phosphane?
bis(4,5-dihydro-1,3-oxazol-2-yl)-dihydroxy-phenyl-λ5-phosphane has a molecular weight of 282.24 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4,5-dihydro-1,3-oxazol-2-yl)-dihydroxy-phenyl-λ5-phosphane is sourced from PubChem (CID 90783243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).