diphenyl-[3-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)-2-azabicyclo[2.2.1]heptan-2-yl]phosphane

C24H29N2OP — CID 70877075

IUPACdiphenyl-[3-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)-2-azabicyclo[2.2.1]heptan-2-yl]phosphane
SMILESCC(C)C1COC(C2C3CCC(C3)N2P(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C24H29N2OP/c1-17(2)22-16-27-24(25-22)23-18-13-14-19(15-18)26(23)28(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,17-19,22-23H,13-16H2,1-2H3
InChIKeyXKDPDTYRCCFEFG-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.34
Rot. Bonds5

About diphenyl-[3-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)-2-azabicyclo[2.2.1]heptan-2-yl]phosphane

diphenyl-[3-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)-2-azabicyclo[2.2.1]heptan-2-yl]phosphane (PubChem CID 70877075) has the molecular formula C24H29N2OP and a molecular weight of 392.48 g/mol. Its IUPAC name is diphenyl-[3-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)-2-azabicyclo[2.2.1]heptan-2-yl]phosphane.

Molecular Properties

Compound Namediphenyl-[3-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)-2-azabicyclo[2.2.1]heptan-2-yl]phosphane
PubChem CID70877075
Molecular FormulaC24H29N2OP
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC Namediphenyl-[3-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)-2-azabicyclo[2.2.1]heptan-2-yl]phosphane
SMILESCC(C)C1COC(C2C3CCC(C3)N2P(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C24H29N2OP/c1-17(2)22-16-27-24(25-22)23-18-13-14-19(15-18)26(23)28(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,17-19,22-23H,13-16H2,1-2H3
InChIKeyXKDPDTYRCCFEFG-UHFFFAOYSA-N
XLogP4.34
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diphenyl-[3-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)-2-azabicyclo[2.2.1]heptan-2-yl]phosphane?
The IUPAC name of diphenyl-[3-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)-2-azabicyclo[2.2.1]heptan-2-yl]phosphane (CID 70877075) is diphenyl-[3-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)-2-azabicyclo[2.2.1]heptan-2-yl]phosphane.
What is the SMILES notation for diphenyl-[3-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)-2-azabicyclo[2.2.1]heptan-2-yl]phosphane?
The canonical SMILES for diphenyl-[3-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)-2-azabicyclo[2.2.1]heptan-2-yl]phosphane is CC(C)C1COC(C2C3CCC(C3)N2P(c2ccccc2)c2ccccc2)=N1.
What is the InChIKey of diphenyl-[3-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)-2-azabicyclo[2.2.1]heptan-2-yl]phosphane?
The InChIKey is XKDPDTYRCCFEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N2OP/c1-17(2)22-16-27-24(25-22)23-18-13-14-19(15-18)26(23)28(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,17-19,22-23H,13-16H2,1-2H3.
What are the key properties of diphenyl-[3-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)-2-azabicyclo[2.2.1]heptan-2-yl]phosphane?
diphenyl-[3-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)-2-azabicyclo[2.2.1]heptan-2-yl]phosphane has a molecular weight of 392.48 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[3-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)-2-azabicyclo[2.2.1]heptan-2-yl]phosphane is sourced from PubChem (CID 70877075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).