1,3-oxazole;phosphane;quinoline

C12H13N2OP — CID 159601305

IUPAC1,3-oxazole;phosphane;quinoline
SMILESP.c1ccc2ncccc2c1.c1cocn1
InChIInChI=1S/C9H7N.C3H3NO.H3P/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-5-3-4-1;/h1-7H;1-3H;1H3
InChIKeyMLNCSRJFIZDZNF-UHFFFAOYSA-N
MW232.22 g/mol
LogP2.97
Rot. Bonds

About 1,3-oxazole;phosphane;quinoline

1,3-oxazole;phosphane;quinoline (PubChem CID 159601305) has the molecular formula C12H13N2OP and a molecular weight of 232.22 g/mol. Its IUPAC name is 1,3-oxazole;phosphane;quinoline.

Molecular Properties

Compound Name1,3-oxazole;phosphane;quinoline
PubChem CID159601305
Molecular FormulaC12H13N2OP
Molecular Weight232.22 g/mol
Exact Mass232.08
IUPAC Name1,3-oxazole;phosphane;quinoline
SMILESP.c1ccc2ncccc2c1.c1cocn1
InChIInChI=1S/C9H7N.C3H3NO.H3P/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-5-3-4-1;/h1-7H;1-3H;1H3
InChIKeyMLNCSRJFIZDZNF-UHFFFAOYSA-N
XLogP2.97
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.22
LogP ≤ 52.97
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-oxazole;phosphane;quinoline?
The IUPAC name of 1,3-oxazole;phosphane;quinoline (CID 159601305) is 1,3-oxazole;phosphane;quinoline.
What is the SMILES notation for 1,3-oxazole;phosphane;quinoline?
The canonical SMILES for 1,3-oxazole;phosphane;quinoline is P.c1ccc2ncccc2c1.c1cocn1.
What is the InChIKey of 1,3-oxazole;phosphane;quinoline?
The InChIKey is MLNCSRJFIZDZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C3H3NO.H3P/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-5-3-4-1;/h1-7H;1-3H;1H3.
What are the key properties of 1,3-oxazole;phosphane;quinoline?
1,3-oxazole;phosphane;quinoline has a molecular weight of 232.22 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazole;phosphane;quinoline is sourced from PubChem (CID 159601305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).