2-oxo-N,3-diphenyl-1,3,2λ5-oxazaphosphinan-2-amine

C15H17N2O2P — CID 71365624

IUPAC2-oxo-N,3-diphenyl-1,3,2λ5-oxazaphosphinan-2-amine
SMILESO=P1(Nc2ccccc2)OCCCN1c1ccccc1
InChIInChI=1S/C15H17N2O2P/c18-20(16-14-8-3-1-4-9-14)17(12-7-13-19-20)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2,(H,16,18)
InChIKeyNTMRBEUHBXPGBU-UHFFFAOYSA-N
MW288.29 g/mol
LogP4.13
Rot. Bonds3

About 2-oxo-N,3-diphenyl-1,3,2λ5-oxazaphosphinan-2-amine

2-oxo-N,3-diphenyl-1,3,2λ5-oxazaphosphinan-2-amine (PubChem CID 71365624) has the molecular formula C15H17N2O2P and a molecular weight of 288.29 g/mol. Its IUPAC name is 2-oxo-N,3-diphenyl-1,3,2λ5-oxazaphosphinan-2-amine.

Molecular Properties

Compound Name2-oxo-N,3-diphenyl-1,3,2λ5-oxazaphosphinan-2-amine
PubChem CID71365624
Molecular FormulaC15H17N2O2P
Molecular Weight288.29 g/mol
Exact Mass288.10
IUPAC Name2-oxo-N,3-diphenyl-1,3,2λ5-oxazaphosphinan-2-amine
SMILESO=P1(Nc2ccccc2)OCCCN1c1ccccc1
InChIInChI=1S/C15H17N2O2P/c18-20(16-14-8-3-1-4-9-14)17(12-7-13-19-20)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2,(H,16,18)
InChIKeyNTMRBEUHBXPGBU-UHFFFAOYSA-N
XLogP4.13
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N,3-diphenyl-1,3,2λ5-oxazaphosphinan-2-amine?
The IUPAC name of 2-oxo-N,3-diphenyl-1,3,2λ5-oxazaphosphinan-2-amine (CID 71365624) is 2-oxo-N,3-diphenyl-1,3,2λ5-oxazaphosphinan-2-amine.
What is the SMILES notation for 2-oxo-N,3-diphenyl-1,3,2λ5-oxazaphosphinan-2-amine?
The canonical SMILES for 2-oxo-N,3-diphenyl-1,3,2λ5-oxazaphosphinan-2-amine is O=P1(Nc2ccccc2)OCCCN1c1ccccc1.
What is the InChIKey of 2-oxo-N,3-diphenyl-1,3,2λ5-oxazaphosphinan-2-amine?
The InChIKey is NTMRBEUHBXPGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N2O2P/c18-20(16-14-8-3-1-4-9-14)17(12-7-13-19-20)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2,(H,16,18).
What are the key properties of 2-oxo-N,3-diphenyl-1,3,2λ5-oxazaphosphinan-2-amine?
2-oxo-N,3-diphenyl-1,3,2λ5-oxazaphosphinan-2-amine has a molecular weight of 288.29 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N,3-diphenyl-1,3,2λ5-oxazaphosphinan-2-amine is sourced from PubChem (CID 71365624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).