1,3-oxazole;quinoline

C12H10N2O — CID 162020962

IUPAC1,3-oxazole;quinoline
SMILESc1ccc2ncccc2c1.c1cocn1
InChIInChI=1S/C9H7N.C3H3NO/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-5-3-4-1/h1-7H;1-3H
InChIKeyYUSWFULMAAAFJQ-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.91
Rot. Bonds

About 1,3-oxazole;quinoline

1,3-oxazole;quinoline (PubChem CID 162020962) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is 1,3-oxazole;quinoline.

Molecular Properties

Compound Name1,3-oxazole;quinoline
PubChem CID162020962
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Name1,3-oxazole;quinoline
SMILESc1ccc2ncccc2c1.c1cocn1
InChIInChI=1S/C9H7N.C3H3NO/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-5-3-4-1/h1-7H;1-3H
InChIKeyYUSWFULMAAAFJQ-UHFFFAOYSA-N
XLogP2.91
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-oxazole;quinoline?
The IUPAC name of 1,3-oxazole;quinoline (CID 162020962) is 1,3-oxazole;quinoline.
What is the SMILES notation for 1,3-oxazole;quinoline?
The canonical SMILES for 1,3-oxazole;quinoline is c1ccc2ncccc2c1.c1cocn1.
What is the InChIKey of 1,3-oxazole;quinoline?
The InChIKey is YUSWFULMAAAFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C3H3NO/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-5-3-4-1/h1-7H;1-3H.
What are the key properties of 1,3-oxazole;quinoline?
1,3-oxazole;quinoline has a molecular weight of 198.22 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazole;quinoline is sourced from PubChem (CID 162020962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).