3-[diphosphanyl(phosphanyl)phosphanyl]-5-propyl-6,7-dihydro-[1,2]oxazolo[4,5-c]pyridin-4-one

C9H16N2O2P4 — CID 23552443

IUPAC3-[diphosphanyl(phosphanyl)phosphanyl]-5-propyl-6,7-dihydro-[1,2]oxazolo[4,5-c]pyridin-4-one
SMILESCCCN1CCc2onc(P(P)PP)c2C1=O
InChIInChI=1S/C9H16N2O2P4/c1-2-4-11-5-3-6-7(9(11)12)8(10-13-6)17(15)16-14/h16H,2-5,14-15H2,1H3
InChIKeyUTLCSURQLGFQOQ-UHFFFAOYSA-N
MW308.14 g/mol
LogP2.36
Rot. Bonds4

About 3-[diphosphanyl(phosphanyl)phosphanyl]-5-propyl-6,7-dihydro-[1,2]oxazolo[4,5-c]pyridin-4-one

3-[diphosphanyl(phosphanyl)phosphanyl]-5-propyl-6,7-dihydro-[1,2]oxazolo[4,5-c]pyridin-4-one (PubChem CID 23552443) has the molecular formula C9H16N2O2P4 and a molecular weight of 308.14 g/mol. Its IUPAC name is 3-[diphosphanyl(phosphanyl)phosphanyl]-5-propyl-6,7-dihydro-[1,2]oxazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name3-[diphosphanyl(phosphanyl)phosphanyl]-5-propyl-6,7-dihydro-[1,2]oxazolo[4,5-c]pyridin-4-one
PubChem CID23552443
Molecular FormulaC9H16N2O2P4
Molecular Weight308.14 g/mol
Exact Mass308.02
IUPAC Name3-[diphosphanyl(phosphanyl)phosphanyl]-5-propyl-6,7-dihydro-[1,2]oxazolo[4,5-c]pyridin-4-one
SMILESCCCN1CCc2onc(P(P)PP)c2C1=O
InChIInChI=1S/C9H16N2O2P4/c1-2-4-11-5-3-6-7(9(11)12)8(10-13-6)17(15)16-14/h16H,2-5,14-15H2,1H3
InChIKeyUTLCSURQLGFQOQ-UHFFFAOYSA-N
XLogP2.36
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.14
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[diphosphanyl(phosphanyl)phosphanyl]-5-propyl-6,7-dihydro-[1,2]oxazolo[4,5-c]pyridin-4-one 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-[diphosphanyl(phosphanyl)phosphanyl]-5-propyl-6,7-dihydro-[1,2]oxazolo[4,5-c]pyridin-4-one?
The IUPAC name of 3-[diphosphanyl(phosphanyl)phosphanyl]-5-propyl-6,7-dihydro-[1,2]oxazolo[4,5-c]pyridin-4-one (CID 23552443) is 3-[diphosphanyl(phosphanyl)phosphanyl]-5-propyl-6,7-dihydro-[1,2]oxazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 3-[diphosphanyl(phosphanyl)phosphanyl]-5-propyl-6,7-dihydro-[1,2]oxazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 3-[diphosphanyl(phosphanyl)phosphanyl]-5-propyl-6,7-dihydro-[1,2]oxazolo[4,5-c]pyridin-4-one is CCCN1CCc2onc(P(P)PP)c2C1=O.
What is the InChIKey of 3-[diphosphanyl(phosphanyl)phosphanyl]-5-propyl-6,7-dihydro-[1,2]oxazolo[4,5-c]pyridin-4-one?
The InChIKey is UTLCSURQLGFQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2P4/c1-2-4-11-5-3-6-7(9(11)12)8(10-13-6)17(15)16-14/h16H,2-5,14-15H2,1H3.
What are the key properties of 3-[diphosphanyl(phosphanyl)phosphanyl]-5-propyl-6,7-dihydro-[1,2]oxazolo[4,5-c]pyridin-4-one?
3-[diphosphanyl(phosphanyl)phosphanyl]-5-propyl-6,7-dihydro-[1,2]oxazolo[4,5-c]pyridin-4-one has a molecular weight of 308.14 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[diphosphanyl(phosphanyl)phosphanyl]-5-propyl-6,7-dihydro-[1,2]oxazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 23552443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).