[3-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-methyl-phenylphosphane

C16H16NOP — CID 174982709

IUPAC[3-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-methyl-phenylphosphane
SMILESCP(c1ccccc1)c1cccc(C2=NOCC2)c1
InChIInChI=1S/C16H16NOP/c1-19(14-7-3-2-4-8-14)15-9-5-6-13(12-15)16-10-11-18-17-16/h2-9,12H,10-11H2,1H3
InChIKeyRBGCHOGGLFSGPV-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.87
Rot. Bonds3

About [3-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-methyl-phenylphosphane

[3-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-methyl-phenylphosphane (PubChem CID 174982709) has the molecular formula C16H16NOP and a molecular weight of 269.28 g/mol. Its IUPAC name is [3-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-methyl-phenylphosphane.

Molecular Properties

Compound Name[3-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-methyl-phenylphosphane
PubChem CID174982709
Molecular FormulaC16H16NOP
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name[3-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-methyl-phenylphosphane
SMILESCP(c1ccccc1)c1cccc(C2=NOCC2)c1
InChIInChI=1S/C16H16NOP/c1-19(14-7-3-2-4-8-14)15-9-5-6-13(12-15)16-10-11-18-17-16/h2-9,12H,10-11H2,1H3
InChIKeyRBGCHOGGLFSGPV-UHFFFAOYSA-N
XLogP2.87
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [3-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-methyl-phenylphosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-methyl-phenylphosphane?
The IUPAC name of [3-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-methyl-phenylphosphane (CID 174982709) is [3-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-methyl-phenylphosphane.
What is the SMILES notation for [3-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-methyl-phenylphosphane?
The canonical SMILES for [3-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-methyl-phenylphosphane is CP(c1ccccc1)c1cccc(C2=NOCC2)c1.
What is the InChIKey of [3-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-methyl-phenylphosphane?
The InChIKey is RBGCHOGGLFSGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16NOP/c1-19(14-7-3-2-4-8-14)15-9-5-6-13(12-15)16-10-11-18-17-16/h2-9,12H,10-11H2,1H3.
What are the key properties of [3-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-methyl-phenylphosphane?
[3-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-methyl-phenylphosphane has a molecular weight of 269.28 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-methyl-phenylphosphane is sourced from PubChem (CID 174982709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).