4-pyridin-4-yl-5-[4-(quinolin-2-ylmethoxy)phenyl]-1,2-oxazole

C24H17N3O2 — CID 11653755

IUPAC4-pyridin-4-yl-5-[4-(quinolin-2-ylmethoxy)phenyl]-1,2-oxazole
SMILESc1ccc2nc(COc3ccc(-c4oncc4-c4ccncc4)cc3)ccc2c1
InChIInChI=1S/C24H17N3O2/c1-2-4-23-18(3-1)5-8-20(27-23)16-28-21-9-6-19(7-10-21)24-22(15-26-29-24)17-11-13-25-14-12-17/h1-15H,16H2
InChIKeyGNDVGAFSWHFOOB-UHFFFAOYSA-N
MW379.42 g/mol
LogP5.53
Rot. Bonds5

About 4-pyridin-4-yl-5-[4-(quinolin-2-ylmethoxy)phenyl]-1,2-oxazole

4-pyridin-4-yl-5-[4-(quinolin-2-ylmethoxy)phenyl]-1,2-oxazole (PubChem CID 11653755) has the molecular formula C24H17N3O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is 4-pyridin-4-yl-5-[4-(quinolin-2-ylmethoxy)phenyl]-1,2-oxazole.

Molecular Properties

Compound Name4-pyridin-4-yl-5-[4-(quinolin-2-ylmethoxy)phenyl]-1,2-oxazole
PubChem CID11653755
Molecular FormulaC24H17N3O2
Molecular Weight379.42 g/mol
Exact Mass379.13
IUPAC Name4-pyridin-4-yl-5-[4-(quinolin-2-ylmethoxy)phenyl]-1,2-oxazole
SMILESc1ccc2nc(COc3ccc(-c4oncc4-c4ccncc4)cc3)ccc2c1
InChIInChI=1S/C24H17N3O2/c1-2-4-23-18(3-1)5-8-20(27-23)16-28-21-9-6-19(7-10-21)24-22(15-26-29-24)17-11-13-25-14-12-17/h1-15H,16H2
InChIKeyGNDVGAFSWHFOOB-UHFFFAOYSA-N
XLogP5.53
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.42
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-4-yl-5-[4-(quinolin-2-ylmethoxy)phenyl]-1,2-oxazole?
The IUPAC name of 4-pyridin-4-yl-5-[4-(quinolin-2-ylmethoxy)phenyl]-1,2-oxazole (CID 11653755) is 4-pyridin-4-yl-5-[4-(quinolin-2-ylmethoxy)phenyl]-1,2-oxazole.
What is the SMILES notation for 4-pyridin-4-yl-5-[4-(quinolin-2-ylmethoxy)phenyl]-1,2-oxazole?
The canonical SMILES for 4-pyridin-4-yl-5-[4-(quinolin-2-ylmethoxy)phenyl]-1,2-oxazole is c1ccc2nc(COc3ccc(-c4oncc4-c4ccncc4)cc3)ccc2c1.
What is the InChIKey of 4-pyridin-4-yl-5-[4-(quinolin-2-ylmethoxy)phenyl]-1,2-oxazole?
The InChIKey is GNDVGAFSWHFOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O2/c1-2-4-23-18(3-1)5-8-20(27-23)16-28-21-9-6-19(7-10-21)24-22(15-26-29-24)17-11-13-25-14-12-17/h1-15H,16H2.
What are the key properties of 4-pyridin-4-yl-5-[4-(quinolin-2-ylmethoxy)phenyl]-1,2-oxazole?
4-pyridin-4-yl-5-[4-(quinolin-2-ylmethoxy)phenyl]-1,2-oxazole has a molecular weight of 379.42 g/mol, XLogP of 5.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-4-yl-5-[4-(quinolin-2-ylmethoxy)phenyl]-1,2-oxazole is sourced from PubChem (CID 11653755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).