2-[4-[3-(1,3-oxazol-2-yl)naphthalen-1-yl]-8-[2-(1,3-oxazol-2-yl)phenyl]naphthalen-2-yl]-1,3-oxazole

C35H21N3O3 — CID 134343930

IUPAC2-[4-[3-(1,3-oxazol-2-yl)naphthalen-1-yl]-8-[2-(1,3-oxazol-2-yl)phenyl]naphthalen-2-yl]-1,3-oxazole
SMILESc1ccc(-c2cccc3c(-c4cc(-c5ncco5)cc5ccccc45)cc(-c4ncco4)cc23)c(-c2ncco2)c1
InChIInChI=1S/C35H21N3O3/c1-2-7-25-22(6-1)18-23(33-36-12-15-39-33)19-30(25)32-21-24(34-37-13-16-40-34)20-31-27(10-5-11-28(31)32)26-8-3-4-9-29(26)35-38-14-17-41-35/h1-21H
InChIKeyOKQYRPLYHOSBKK-UHFFFAOYSA-N
MW531.57 g/mol
LogP9.29
Rot. Bonds5

About 2-[4-[3-(1,3-oxazol-2-yl)naphthalen-1-yl]-8-[2-(1,3-oxazol-2-yl)phenyl]naphthalen-2-yl]-1,3-oxazole

2-[4-[3-(1,3-oxazol-2-yl)naphthalen-1-yl]-8-[2-(1,3-oxazol-2-yl)phenyl]naphthalen-2-yl]-1,3-oxazole (PubChem CID 134343930) has the molecular formula C35H21N3O3 and a molecular weight of 531.57 g/mol. Its IUPAC name is 2-[4-[3-(1,3-oxazol-2-yl)naphthalen-1-yl]-8-[2-(1,3-oxazol-2-yl)phenyl]naphthalen-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[4-[3-(1,3-oxazol-2-yl)naphthalen-1-yl]-8-[2-(1,3-oxazol-2-yl)phenyl]naphthalen-2-yl]-1,3-oxazole
PubChem CID134343930
Molecular FormulaC35H21N3O3
Molecular Weight531.57 g/mol
Exact Mass531.16
IUPAC Name2-[4-[3-(1,3-oxazol-2-yl)naphthalen-1-yl]-8-[2-(1,3-oxazol-2-yl)phenyl]naphthalen-2-yl]-1,3-oxazole
SMILESc1ccc(-c2cccc3c(-c4cc(-c5ncco5)cc5ccccc45)cc(-c4ncco4)cc23)c(-c2ncco2)c1
InChIInChI=1S/C35H21N3O3/c1-2-7-25-22(6-1)18-23(33-36-12-15-39-33)19-30(25)32-21-24(34-37-13-16-40-34)20-31-27(10-5-11-28(31)32)26-8-3-4-9-29(26)35-38-14-17-41-35/h1-21H
InChIKeyOKQYRPLYHOSBKK-UHFFFAOYSA-N
XLogP9.29
TPSA78.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.57
LogP ≤ 59.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(1,3-oxazol-2-yl)naphthalen-1-yl]-8-[2-(1,3-oxazol-2-yl)phenyl]naphthalen-2-yl]-1,3-oxazole?
The IUPAC name of 2-[4-[3-(1,3-oxazol-2-yl)naphthalen-1-yl]-8-[2-(1,3-oxazol-2-yl)phenyl]naphthalen-2-yl]-1,3-oxazole (CID 134343930) is 2-[4-[3-(1,3-oxazol-2-yl)naphthalen-1-yl]-8-[2-(1,3-oxazol-2-yl)phenyl]naphthalen-2-yl]-1,3-oxazole.
What is the SMILES notation for 2-[4-[3-(1,3-oxazol-2-yl)naphthalen-1-yl]-8-[2-(1,3-oxazol-2-yl)phenyl]naphthalen-2-yl]-1,3-oxazole?
The canonical SMILES for 2-[4-[3-(1,3-oxazol-2-yl)naphthalen-1-yl]-8-[2-(1,3-oxazol-2-yl)phenyl]naphthalen-2-yl]-1,3-oxazole is c1ccc(-c2cccc3c(-c4cc(-c5ncco5)cc5ccccc45)cc(-c4ncco4)cc23)c(-c2ncco2)c1.
What is the InChIKey of 2-[4-[3-(1,3-oxazol-2-yl)naphthalen-1-yl]-8-[2-(1,3-oxazol-2-yl)phenyl]naphthalen-2-yl]-1,3-oxazole?
The InChIKey is OKQYRPLYHOSBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21N3O3/c1-2-7-25-22(6-1)18-23(33-36-12-15-39-33)19-30(25)32-21-24(34-37-13-16-40-34)20-31-27(10-5-11-28(31)32)26-8-3-4-9-29(26)35-38-14-17-41-35/h1-21H.
What are the key properties of 2-[4-[3-(1,3-oxazol-2-yl)naphthalen-1-yl]-8-[2-(1,3-oxazol-2-yl)phenyl]naphthalen-2-yl]-1,3-oxazole?
2-[4-[3-(1,3-oxazol-2-yl)naphthalen-1-yl]-8-[2-(1,3-oxazol-2-yl)phenyl]naphthalen-2-yl]-1,3-oxazole has a molecular weight of 531.57 g/mol, XLogP of 9.29, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(1,3-oxazol-2-yl)naphthalen-1-yl]-8-[2-(1,3-oxazol-2-yl)phenyl]naphthalen-2-yl]-1,3-oxazole is sourced from PubChem (CID 134343930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).