5-(4-chlorophenyl)-2-[4-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]naphthalen-1-yl]-1,3-oxazole

C28H16Cl2N2O2 — CID 59205808

IUPAC5-(4-chlorophenyl)-2-[4-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]naphthalen-1-yl]-1,3-oxazole
SMILESClc1ccc(-c2cnc(-c3ccc(-c4ncc(-c5ccc(Cl)cc5)o4)c4ccccc34)o2)cc1
InChIInChI=1S/C28H16Cl2N2O2/c29-19-9-5-17(6-10-19)25-15-31-27(33-25)23-13-14-24(22-4-2-1-3-21(22)23)28-32-16-26(34-28)18-7-11-20(30)12-8-18/h1-16H
InChIKeyPLCCXSWQDRTMDM-UHFFFAOYSA-N
MW483.35 g/mol
LogP8.79
Rot. Bonds4

About 5-(4-chlorophenyl)-2-[4-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]naphthalen-1-yl]-1,3-oxazole

5-(4-chlorophenyl)-2-[4-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]naphthalen-1-yl]-1,3-oxazole (PubChem CID 59205808) has the molecular formula C28H16Cl2N2O2 and a molecular weight of 483.35 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-[4-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]naphthalen-1-yl]-1,3-oxazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-[4-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]naphthalen-1-yl]-1,3-oxazole
PubChem CID59205808
Molecular FormulaC28H16Cl2N2O2
Molecular Weight483.35 g/mol
Exact Mass482.06
IUPAC Name5-(4-chlorophenyl)-2-[4-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]naphthalen-1-yl]-1,3-oxazole
SMILESClc1ccc(-c2cnc(-c3ccc(-c4ncc(-c5ccc(Cl)cc5)o4)c4ccccc34)o2)cc1
InChIInChI=1S/C28H16Cl2N2O2/c29-19-9-5-17(6-10-19)25-15-31-27(33-25)23-13-14-24(22-4-2-1-3-21(22)23)28-32-16-26(34-28)18-7-11-20(30)12-8-18/h1-16H
InChIKeyPLCCXSWQDRTMDM-UHFFFAOYSA-N
XLogP8.79
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.35
LogP ≤ 58.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-[4-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]naphthalen-1-yl]-1,3-oxazole?
The IUPAC name of 5-(4-chlorophenyl)-2-[4-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]naphthalen-1-yl]-1,3-oxazole (CID 59205808) is 5-(4-chlorophenyl)-2-[4-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]naphthalen-1-yl]-1,3-oxazole.
What is the SMILES notation for 5-(4-chlorophenyl)-2-[4-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]naphthalen-1-yl]-1,3-oxazole?
The canonical SMILES for 5-(4-chlorophenyl)-2-[4-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]naphthalen-1-yl]-1,3-oxazole is Clc1ccc(-c2cnc(-c3ccc(-c4ncc(-c5ccc(Cl)cc5)o4)c4ccccc34)o2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-2-[4-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]naphthalen-1-yl]-1,3-oxazole?
The InChIKey is PLCCXSWQDRTMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16Cl2N2O2/c29-19-9-5-17(6-10-19)25-15-31-27(33-25)23-13-14-24(22-4-2-1-3-21(22)23)28-32-16-26(34-28)18-7-11-20(30)12-8-18/h1-16H.
What are the key properties of 5-(4-chlorophenyl)-2-[4-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]naphthalen-1-yl]-1,3-oxazole?
5-(4-chlorophenyl)-2-[4-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]naphthalen-1-yl]-1,3-oxazole has a molecular weight of 483.35 g/mol, XLogP of 8.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-[4-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]naphthalen-1-yl]-1,3-oxazole is sourced from PubChem (CID 59205808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).