5-pyridin-4-yl-4-[4-(quinolin-2-ylmethoxy)phenyl]-1,3-oxazole

C24H17N3O2 — CID 11603302

IUPAC5-pyridin-4-yl-4-[4-(quinolin-2-ylmethoxy)phenyl]-1,3-oxazole
SMILESc1ccc2nc(COc3ccc(-c4ncoc4-c4ccncc4)cc3)ccc2c1
InChIInChI=1S/C24H17N3O2/c1-2-4-22-17(3-1)5-8-20(27-22)15-28-21-9-6-18(7-10-21)23-24(29-16-26-23)19-11-13-25-14-12-19/h1-14,16H,15H2
InChIKeyZWKPLQXNVSBVBS-UHFFFAOYSA-N
MW379.42 g/mol
LogP5.53
Rot. Bonds5

About 5-pyridin-4-yl-4-[4-(quinolin-2-ylmethoxy)phenyl]-1,3-oxazole

5-pyridin-4-yl-4-[4-(quinolin-2-ylmethoxy)phenyl]-1,3-oxazole (PubChem CID 11603302) has the molecular formula C24H17N3O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is 5-pyridin-4-yl-4-[4-(quinolin-2-ylmethoxy)phenyl]-1,3-oxazole.

Molecular Properties

Compound Name5-pyridin-4-yl-4-[4-(quinolin-2-ylmethoxy)phenyl]-1,3-oxazole
PubChem CID11603302
Molecular FormulaC24H17N3O2
Molecular Weight379.42 g/mol
Exact Mass379.13
IUPAC Name5-pyridin-4-yl-4-[4-(quinolin-2-ylmethoxy)phenyl]-1,3-oxazole
SMILESc1ccc2nc(COc3ccc(-c4ncoc4-c4ccncc4)cc3)ccc2c1
InChIInChI=1S/C24H17N3O2/c1-2-4-22-17(3-1)5-8-20(27-22)15-28-21-9-6-18(7-10-21)23-24(29-16-26-23)19-11-13-25-14-12-19/h1-14,16H,15H2
InChIKeyZWKPLQXNVSBVBS-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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Related Compounds

2-[[4-(3-methyl-5-pyridin-4-yltriazol-4-yl)phenoxy]methyl]quinoline
CID 11538425
2-[[4-(5-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl]quinoline
CID 11646834
2-[[4-(2-pyridin-4-ylethynyl)phenoxy]methyl]quinoline
CID 59797507
4-pyridin-4-yl-7-(quinolin-2-ylmethoxy)quinazoline
CID 24944868
2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)phenoxy]methyl]quinoline
CID 11668304
2-[[4-(2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)phenoxy]methyl]quinoline
CID 176514693
3-pyridin-4-yl-2-[4-(quinolin-2-ylmethoxy)phenyl]benzonitrile
CID 44600240
butanedioic acid;2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
CID 24857794
2-[[4-(2-methyl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenoxy]methyl]quinoline
CID 11662225
[4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 28773235
2-[4-pyridin-4-yl-3-[4-(quinolin-2-ylmethoxy)phenyl]pyrazol-1-yl]ethyl methanesulfonate
CID 58544885
ethyl 2-[4-pyridin-4-yl-3-[4-(quinolin-2-ylmethoxy)phenyl]pyrazol-1-yl]acetate
CID 167444594

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-4-yl-4-[4-(quinolin-2-ylmethoxy)phenyl]-1,3-oxazole?
The IUPAC name of 5-pyridin-4-yl-4-[4-(quinolin-2-ylmethoxy)phenyl]-1,3-oxazole (CID 11603302) is 5-pyridin-4-yl-4-[4-(quinolin-2-ylmethoxy)phenyl]-1,3-oxazole.
What is the SMILES notation for 5-pyridin-4-yl-4-[4-(quinolin-2-ylmethoxy)phenyl]-1,3-oxazole?
The canonical SMILES for 5-pyridin-4-yl-4-[4-(quinolin-2-ylmethoxy)phenyl]-1,3-oxazole is c1ccc2nc(COc3ccc(-c4ncoc4-c4ccncc4)cc3)ccc2c1.
What is the InChIKey of 5-pyridin-4-yl-4-[4-(quinolin-2-ylmethoxy)phenyl]-1,3-oxazole?
The InChIKey is ZWKPLQXNVSBVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O2/c1-2-4-22-17(3-1)5-8-20(27-22)15-28-21-9-6-18(7-10-21)23-24(29-16-26-23)19-11-13-25-14-12-19/h1-14,16H,15H2.
What are the key properties of 5-pyridin-4-yl-4-[4-(quinolin-2-ylmethoxy)phenyl]-1,3-oxazole?
5-pyridin-4-yl-4-[4-(quinolin-2-ylmethoxy)phenyl]-1,3-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 5-pyridin-4-yl-4-[4-(quinolin-2-ylmethoxy)phenyl]-1,3-oxazole is sourced from PubChem (CID 11603302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).