5-(3-chlorophenyl)-2-[7-(6-fluoro-1H-indol-3-yl)naphthalen-2-yl]-1,3-oxazole

C27H16ClFN2O — CID 139215788

IUPAC5-(3-chlorophenyl)-2-[7-(6-fluoro-1H-indol-3-yl)naphthalen-2-yl]-1,3-oxazole
SMILESFc1ccc2c(-c3ccc4ccc(-c5ncc(-c6cccc(Cl)c6)o5)cc4c3)c[nH]c2c1
InChIInChI=1S/C27H16ClFN2O/c28-21-3-1-2-18(12-21)26-15-31-27(32-26)19-7-5-16-4-6-17(10-20(16)11-19)24-14-30-25-13-22(29)8-9-23(24)25/h1-15,30H
InChIKeyMHHXBDJTFHURCV-UHFFFAOYSA-N
MW438.89 g/mol
LogP8.10
Rot. Bonds3

About 5-(3-chlorophenyl)-2-[7-(6-fluoro-1H-indol-3-yl)naphthalen-2-yl]-1,3-oxazole

5-(3-chlorophenyl)-2-[7-(6-fluoro-1H-indol-3-yl)naphthalen-2-yl]-1,3-oxazole (PubChem CID 139215788) has the molecular formula C27H16ClFN2O and a molecular weight of 438.89 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-2-[7-(6-fluoro-1H-indol-3-yl)naphthalen-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name5-(3-chlorophenyl)-2-[7-(6-fluoro-1H-indol-3-yl)naphthalen-2-yl]-1,3-oxazole
PubChem CID139215788
Molecular FormulaC27H16ClFN2O
Molecular Weight438.89 g/mol
Exact Mass438.09
IUPAC Name5-(3-chlorophenyl)-2-[7-(6-fluoro-1H-indol-3-yl)naphthalen-2-yl]-1,3-oxazole
SMILESFc1ccc2c(-c3ccc4ccc(-c5ncc(-c6cccc(Cl)c6)o5)cc4c3)c[nH]c2c1
InChIInChI=1S/C27H16ClFN2O/c28-21-3-1-2-18(12-21)26-15-31-27(32-26)19-7-5-16-4-6-17(10-20(16)11-19)24-14-30-25-13-22(29)8-9-23(24)25/h1-15,30H
InChIKeyMHHXBDJTFHURCV-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-(3-chlorophenyl)-2-[7-(6-fluoro-1H-indol-3-yl)naphthalen-2-yl]-1,3-oxazole?
The IUPAC name of 5-(3-chlorophenyl)-2-[7-(6-fluoro-1H-indol-3-yl)naphthalen-2-yl]-1,3-oxazole (CID 139215788) is 5-(3-chlorophenyl)-2-[7-(6-fluoro-1H-indol-3-yl)naphthalen-2-yl]-1,3-oxazole.
What is the SMILES notation for 5-(3-chlorophenyl)-2-[7-(6-fluoro-1H-indol-3-yl)naphthalen-2-yl]-1,3-oxazole?
The canonical SMILES for 5-(3-chlorophenyl)-2-[7-(6-fluoro-1H-indol-3-yl)naphthalen-2-yl]-1,3-oxazole is Fc1ccc2c(-c3ccc4ccc(-c5ncc(-c6cccc(Cl)c6)o5)cc4c3)c[nH]c2c1.
What is the InChIKey of 5-(3-chlorophenyl)-2-[7-(6-fluoro-1H-indol-3-yl)naphthalen-2-yl]-1,3-oxazole?
The InChIKey is MHHXBDJTFHURCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16ClFN2O/c28-21-3-1-2-18(12-21)26-15-31-27(32-26)19-7-5-16-4-6-17(10-20(16)11-19)24-14-30-25-13-22(29)8-9-23(24)25/h1-15,30H.
What are the key properties of 5-(3-chlorophenyl)-2-[7-(6-fluoro-1H-indol-3-yl)naphthalen-2-yl]-1,3-oxazole?
5-(3-chlorophenyl)-2-[7-(6-fluoro-1H-indol-3-yl)naphthalen-2-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-(3-chlorophenyl)-2-[7-(6-fluoro-1H-indol-3-yl)naphthalen-2-yl]-1,3-oxazole is sourced from PubChem (CID 139215788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).