5-(4-chlorophenyl)-2-[6-(6-fluoro-1H-indol-3-yl)naphthalen-1-yl]-1,3-oxazole

C27H16ClFN2O — CID 72708413

IUPAC5-(4-chlorophenyl)-2-[6-(6-fluoro-1H-indol-3-yl)naphthalen-1-yl]-1,3-oxazole
SMILESFc1ccc2c(-c3ccc4c(-c5ncc(-c6ccc(Cl)cc6)o5)cccc4c3)c[nH]c2c1
InChIInChI=1S/C27H16ClFN2O/c28-19-7-4-16(5-8-19)26-15-31-27(32-26)23-3-1-2-17-12-18(6-10-21(17)23)24-14-30-25-13-20(29)9-11-22(24)25/h1-15,30H
InChIKeyKIUITKSSKBQTHR-UHFFFAOYSA-N
MW438.89 g/mol
LogP8.10
Rot. Bonds3

About 5-(4-chlorophenyl)-2-[6-(6-fluoro-1H-indol-3-yl)naphthalen-1-yl]-1,3-oxazole

5-(4-chlorophenyl)-2-[6-(6-fluoro-1H-indol-3-yl)naphthalen-1-yl]-1,3-oxazole (PubChem CID 72708413) has the molecular formula C27H16ClFN2O and a molecular weight of 438.89 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-[6-(6-fluoro-1H-indol-3-yl)naphthalen-1-yl]-1,3-oxazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-[6-(6-fluoro-1H-indol-3-yl)naphthalen-1-yl]-1,3-oxazole
PubChem CID72708413
Molecular FormulaC27H16ClFN2O
Molecular Weight438.89 g/mol
Exact Mass438.09
IUPAC Name5-(4-chlorophenyl)-2-[6-(6-fluoro-1H-indol-3-yl)naphthalen-1-yl]-1,3-oxazole
SMILESFc1ccc2c(-c3ccc4c(-c5ncc(-c6ccc(Cl)cc6)o5)cccc4c3)c[nH]c2c1
InChIInChI=1S/C27H16ClFN2O/c28-19-7-4-16(5-8-19)26-15-31-27(32-26)23-3-1-2-17-12-18(6-10-21(17)23)24-14-30-25-13-20(29)9-11-22(24)25/h1-15,30H
InChIKeyKIUITKSSKBQTHR-UHFFFAOYSA-N
XLogP8.10
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.89
LogP ≤ 58.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-[6-(6-fluoro-1H-indol-3-yl)naphthalen-1-yl]-1,3-oxazole?
The IUPAC name of 5-(4-chlorophenyl)-2-[6-(6-fluoro-1H-indol-3-yl)naphthalen-1-yl]-1,3-oxazole (CID 72708413) is 5-(4-chlorophenyl)-2-[6-(6-fluoro-1H-indol-3-yl)naphthalen-1-yl]-1,3-oxazole.
What is the SMILES notation for 5-(4-chlorophenyl)-2-[6-(6-fluoro-1H-indol-3-yl)naphthalen-1-yl]-1,3-oxazole?
The canonical SMILES for 5-(4-chlorophenyl)-2-[6-(6-fluoro-1H-indol-3-yl)naphthalen-1-yl]-1,3-oxazole is Fc1ccc2c(-c3ccc4c(-c5ncc(-c6ccc(Cl)cc6)o5)cccc4c3)c[nH]c2c1.
What is the InChIKey of 5-(4-chlorophenyl)-2-[6-(6-fluoro-1H-indol-3-yl)naphthalen-1-yl]-1,3-oxazole?
The InChIKey is KIUITKSSKBQTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16ClFN2O/c28-19-7-4-16(5-8-19)26-15-31-27(32-26)23-3-1-2-17-12-18(6-10-21(17)23)24-14-30-25-13-20(29)9-11-22(24)25/h1-15,30H.
What are the key properties of 5-(4-chlorophenyl)-2-[6-(6-fluoro-1H-indol-3-yl)naphthalen-1-yl]-1,3-oxazole?
5-(4-chlorophenyl)-2-[6-(6-fluoro-1H-indol-3-yl)naphthalen-1-yl]-1,3-oxazole has a molecular weight of 438.89 g/mol, XLogP of 8.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-[6-(6-fluoro-1H-indol-3-yl)naphthalen-1-yl]-1,3-oxazole is sourced from PubChem (CID 72708413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).