1,3-oxazol-2-ylphosphane;quinoline

C12H11N2OP — CID 174535559

IUPAC1,3-oxazol-2-ylphosphane;quinoline
SMILESPc1ncco1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C3H4NOP/c1-2-6-9-8(4-1)5-3-7-10-9;6-3-4-1-2-5-3/h1-7H;1-2H,6H2
InChIKeyWFIKNBQBLCTFNY-UHFFFAOYSA-N
MW230.21 g/mol
LogP2.41
Rot. Bonds

About 1,3-oxazol-2-ylphosphane;quinoline

1,3-oxazol-2-ylphosphane;quinoline (PubChem CID 174535559) has the molecular formula C12H11N2OP and a molecular weight of 230.21 g/mol. Its IUPAC name is 1,3-oxazol-2-ylphosphane;quinoline.

Molecular Properties

Compound Name1,3-oxazol-2-ylphosphane;quinoline
PubChem CID174535559
Molecular FormulaC12H11N2OP
Molecular Weight230.21 g/mol
Exact Mass230.06
IUPAC Name1,3-oxazol-2-ylphosphane;quinoline
SMILESPc1ncco1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C3H4NOP/c1-2-6-9-8(4-1)5-3-7-10-9;6-3-4-1-2-5-3/h1-7H;1-2H,6H2
InChIKeyWFIKNBQBLCTFNY-UHFFFAOYSA-N
XLogP2.41
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 52.41
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 1,3-oxazol-2-ylphosphane;quinoline?
The IUPAC name of 1,3-oxazol-2-ylphosphane;quinoline (CID 174535559) is 1,3-oxazol-2-ylphosphane;quinoline.
What is the SMILES notation for 1,3-oxazol-2-ylphosphane;quinoline?
The canonical SMILES for 1,3-oxazol-2-ylphosphane;quinoline is Pc1ncco1.c1ccc2ncccc2c1.
What is the InChIKey of 1,3-oxazol-2-ylphosphane;quinoline?
The InChIKey is WFIKNBQBLCTFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C3H4NOP/c1-2-6-9-8(4-1)5-3-7-10-9;6-3-4-1-2-5-3/h1-7H;1-2H,6H2.
What are the key properties of 1,3-oxazol-2-ylphosphane;quinoline?
1,3-oxazol-2-ylphosphane;quinoline has a molecular weight of 230.21 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazol-2-ylphosphane;quinoline is sourced from PubChem (CID 174535559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).