[2-(1,1-diphenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazol-3-yl)phenyl]-diphenylphosphane

C36H32NOP — CID 73308687

IUPAC[2-(1,1-diphenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazol-3-yl)phenyl]-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2ccccc2C2OC(c3ccccc3)(c3ccccc3)C3CCCN23)cc1
InChIInChI=1S/C36H32NOP/c1-5-16-28(17-6-1)36(29-18-7-2-8-19-29)34-26-15-27-37(34)35(38-36)32-24-13-14-25-33(32)39(30-20-9-3-10-21-30)31-22-11-4-12-23-31/h1-14,16-25,34-35H,15,26-27H2
InChIKeyCUJJLCNGCBINMG-UHFFFAOYSA-N
MW525.63 g/mol
LogP6.88
Rot. Bonds6

About [2-(1,1-diphenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazol-3-yl)phenyl]-diphenylphosphane

[2-(1,1-diphenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazol-3-yl)phenyl]-diphenylphosphane (PubChem CID 73308687) has the molecular formula C36H32NOP and a molecular weight of 525.63 g/mol. Its IUPAC name is [2-(1,1-diphenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazol-3-yl)phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-(1,1-diphenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazol-3-yl)phenyl]-diphenylphosphane
PubChem CID73308687
Molecular FormulaC36H32NOP
Molecular Weight525.63 g/mol
Exact Mass525.22
IUPAC Name[2-(1,1-diphenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazol-3-yl)phenyl]-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2ccccc2C2OC(c3ccccc3)(c3ccccc3)C3CCCN23)cc1
InChIInChI=1S/C36H32NOP/c1-5-16-28(17-6-1)36(29-18-7-2-8-19-29)34-26-15-27-37(34)35(38-36)32-24-13-14-25-33(32)39(30-20-9-3-10-21-30)31-22-11-4-12-23-31/h1-14,16-25,34-35H,15,26-27H2
InChIKeyCUJJLCNGCBINMG-UHFFFAOYSA-N
XLogP6.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.63
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [2-(1,1-diphenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazol-3-yl)phenyl]-diphenylphosphane 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 [2-(1,1-diphenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazol-3-yl)phenyl]-diphenylphosphane?
The IUPAC name of [2-(1,1-diphenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazol-3-yl)phenyl]-diphenylphosphane (CID 73308687) is [2-(1,1-diphenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazol-3-yl)phenyl]-diphenylphosphane.
What is the SMILES notation for [2-(1,1-diphenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazol-3-yl)phenyl]-diphenylphosphane?
The canonical SMILES for [2-(1,1-diphenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazol-3-yl)phenyl]-diphenylphosphane is c1ccc(P(c2ccccc2)c2ccccc2C2OC(c3ccccc3)(c3ccccc3)C3CCCN23)cc1.
What is the InChIKey of [2-(1,1-diphenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazol-3-yl)phenyl]-diphenylphosphane?
The InChIKey is CUJJLCNGCBINMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32NOP/c1-5-16-28(17-6-1)36(29-18-7-2-8-19-29)34-26-15-27-37(34)35(38-36)32-24-13-14-25-33(32)39(30-20-9-3-10-21-30)31-22-11-4-12-23-31/h1-14,16-25,34-35H,15,26-27H2.
What are the key properties of [2-(1,1-diphenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazol-3-yl)phenyl]-diphenylphosphane?
[2-(1,1-diphenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazol-3-yl)phenyl]-diphenylphosphane has a molecular weight of 525.63 g/mol, XLogP of 6.88, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,1-diphenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazol-3-yl)phenyl]-diphenylphosphane is sourced from PubChem (CID 73308687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).