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

C28H19FN2O2 — CID 72708416

IUPAC2-[6-(6-fluoro-1H-indol-3-yl)naphthalen-1-yl]-5-(4-methoxyphenyl)-1,3-oxazole
SMILESCOc1ccc(-c2cnc(-c3cccc4cc(-c5c[nH]c6cc(F)ccc56)ccc34)o2)cc1
InChIInChI=1S/C28H19FN2O2/c1-32-21-9-5-17(6-10-21)27-16-31-28(33-27)24-4-2-3-18-13-19(7-11-22(18)24)25-15-30-26-14-20(29)8-12-23(25)26/h2-16,30H,1H3
InChIKeySKVBZRFJCFAYTI-UHFFFAOYSA-N
MW434.47 g/mol
LogP7.46
Rot. Bonds4

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

2-[6-(6-fluoro-1H-indol-3-yl)naphthalen-1-yl]-5-(4-methoxyphenyl)-1,3-oxazole (PubChem CID 72708416) has the molecular formula C28H19FN2O2 and a molecular weight of 434.47 g/mol. Its IUPAC name is 2-[6-(6-fluoro-1H-indol-3-yl)naphthalen-1-yl]-5-(4-methoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-[6-(6-fluoro-1H-indol-3-yl)naphthalen-1-yl]-5-(4-methoxyphenyl)-1,3-oxazole
PubChem CID72708416
Molecular FormulaC28H19FN2O2
Molecular Weight434.47 g/mol
Exact Mass434.14
IUPAC Name2-[6-(6-fluoro-1H-indol-3-yl)naphthalen-1-yl]-5-(4-methoxyphenyl)-1,3-oxazole
SMILESCOc1ccc(-c2cnc(-c3cccc4cc(-c5c[nH]c6cc(F)ccc56)ccc34)o2)cc1
InChIInChI=1S/C28H19FN2O2/c1-32-21-9-5-17(6-10-21)27-16-31-28(33-27)24-4-2-3-18-13-19(7-11-22(18)24)25-15-30-26-14-20(29)8-12-23(25)26/h2-16,30H,1H3
InChIKeySKVBZRFJCFAYTI-UHFFFAOYSA-N
XLogP7.46
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.47
LogP ≤ 57.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[7-(1,3-benzoxazol-2-yl)-4-fluoro-1H-indol-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione
CID 507819
6-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-2-(furan-2-yl)pyridin-3-yl}isoquinoline
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6-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}isoquinolin-1-ol
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CID 15603614
[2-(1H-indol-5-yl)-1,3-benzoxazol-5-yl]methanol
CID 142739910
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}naphthalene-1-carboxamide
CID 23646968
5-HT6/5-HT2A receptor ligand-1
CID 155512487
4-[5-[[2-(5-methyl-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol
CID 155513438
2-(1H-indol-3-yl)-N-[(5-naphthalen-1-ylfuran-2-yl)methyl]ethanamine
CID 155539573
2-(5-methoxy-1H-indol-3-yl)-N-[[5-(4-methoxyphenyl)furan-2-yl]methyl]ethanamine
CID 155541866
4-[5-[[2-(6-fluoro-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol
CID 155565813
2-(1H-indol-6-yl)-7-(3,4,5-trimethoxyphenyl)-1,3-benzoxazole
CID 164623302

Frequently Asked Questions

What is the IUPAC name of 2-[6-(6-fluoro-1H-indol-3-yl)naphthalen-1-yl]-5-(4-methoxyphenyl)-1,3-oxazole?
The IUPAC name of 2-[6-(6-fluoro-1H-indol-3-yl)naphthalen-1-yl]-5-(4-methoxyphenyl)-1,3-oxazole (CID 72708416) is 2-[6-(6-fluoro-1H-indol-3-yl)naphthalen-1-yl]-5-(4-methoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 2-[6-(6-fluoro-1H-indol-3-yl)naphthalen-1-yl]-5-(4-methoxyphenyl)-1,3-oxazole?
The canonical SMILES for 2-[6-(6-fluoro-1H-indol-3-yl)naphthalen-1-yl]-5-(4-methoxyphenyl)-1,3-oxazole is COc1ccc(-c2cnc(-c3cccc4cc(-c5c[nH]c6cc(F)ccc56)ccc34)o2)cc1.
What is the InChIKey of 2-[6-(6-fluoro-1H-indol-3-yl)naphthalen-1-yl]-5-(4-methoxyphenyl)-1,3-oxazole?
The InChIKey is SKVBZRFJCFAYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19FN2O2/c1-32-21-9-5-17(6-10-21)27-16-31-28(33-27)24-4-2-3-18-13-19(7-11-22(18)24)25-15-30-26-14-20(29)8-12-23(25)26/h2-16,30H,1H3.
What are the key properties of 2-[6-(6-fluoro-1H-indol-3-yl)naphthalen-1-yl]-5-(4-methoxyphenyl)-1,3-oxazole?
2-[6-(6-fluoro-1H-indol-3-yl)naphthalen-1-yl]-5-(4-methoxyphenyl)-1,3-oxazole has a molecular weight of 434.47 g/mol, XLogP of 7.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(6-fluoro-1H-indol-3-yl)naphthalen-1-yl]-5-(4-methoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 72708416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).