4-[(E)-2-quinolin-2-ylethenyl]-1,3-oxazole

C14H10N2O — CID 86806261

IUPAC4-[(E)-2-quinolin-2-ylethenyl]-1,3-oxazole
SMILESC(=C/c1ccc2ccccc2n1)\c1cocn1
InChIInChI=1S/C14H10N2O/c1-2-4-14-11(3-1)5-6-12(16-14)7-8-13-9-17-10-15-13/h1-10H/b8-7+
InChIKeyLZENFIPBJLYARU-BQYQJAHWSA-N
MW222.25 g/mol
LogP3.39
Rot. Bonds2

About 4-[(E)-2-quinolin-2-ylethenyl]-1,3-oxazole

4-[(E)-2-quinolin-2-ylethenyl]-1,3-oxazole (PubChem CID 86806261) has the molecular formula C14H10N2O and a molecular weight of 222.25 g/mol. Its IUPAC name is 4-[(E)-2-quinolin-2-ylethenyl]-1,3-oxazole.

Molecular Properties

Compound Name4-[(E)-2-quinolin-2-ylethenyl]-1,3-oxazole
PubChem CID86806261
Molecular FormulaC14H10N2O
Molecular Weight222.25 g/mol
Exact Mass222.08
IUPAC Name4-[(E)-2-quinolin-2-ylethenyl]-1,3-oxazole
SMILESC(=C/c1ccc2ccccc2n1)\c1cocn1
InChIInChI=1S/C14H10N2O/c1-2-4-14-11(3-1)5-6-12(16-14)7-8-13-9-17-10-15-13/h1-10H/b8-7+
InChIKeyLZENFIPBJLYARU-BQYQJAHWSA-N
XLogP3.39
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-quinolin-2-ylethenyl]-1,3-oxazole?
The IUPAC name of 4-[(E)-2-quinolin-2-ylethenyl]-1,3-oxazole (CID 86806261) is 4-[(E)-2-quinolin-2-ylethenyl]-1,3-oxazole.
What is the SMILES notation for 4-[(E)-2-quinolin-2-ylethenyl]-1,3-oxazole?
The canonical SMILES for 4-[(E)-2-quinolin-2-ylethenyl]-1,3-oxazole is C(=C/c1ccc2ccccc2n1)\c1cocn1.
What is the InChIKey of 4-[(E)-2-quinolin-2-ylethenyl]-1,3-oxazole?
The InChIKey is LZENFIPBJLYARU-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H10N2O/c1-2-4-14-11(3-1)5-6-12(16-14)7-8-13-9-17-10-15-13/h1-10H/b8-7+.
What are the key properties of 4-[(E)-2-quinolin-2-ylethenyl]-1,3-oxazole?
4-[(E)-2-quinolin-2-ylethenyl]-1,3-oxazole has a molecular weight of 222.25 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-quinolin-2-ylethenyl]-1,3-oxazole is sourced from PubChem (CID 86806261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).