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

C28H19FN2O2 — CID 72708458

IUPAC2-[6-(6-fluoro-1H-indol-3-yl)naphthalen-1-yl]-5-(3-methoxyphenyl)-1,3-oxazole
SMILESCOc1cccc(-c2cnc(-c3cccc4cc(-c5c[nH]c6cc(F)ccc56)ccc34)o2)c1
InChIInChI=1S/C28H19FN2O2/c1-32-21-6-2-5-19(13-21)27-16-31-28(33-27)24-7-3-4-17-12-18(8-10-22(17)24)25-15-30-26-14-20(29)9-11-23(25)26/h2-16,30H,1H3
InChIKeyGQVMNXKMRSJFAM-UHFFFAOYSA-N
MW434.47 g/mol
LogP7.46
Rot. Bonds4

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

2-[6-(6-fluoro-1H-indol-3-yl)naphthalen-1-yl]-5-(3-methoxyphenyl)-1,3-oxazole (PubChem CID 72708458) 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-(3-methoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-[6-(6-fluoro-1H-indol-3-yl)naphthalen-1-yl]-5-(3-methoxyphenyl)-1,3-oxazole
PubChem CID72708458
Molecular FormulaC28H19FN2O2
Molecular Weight434.47 g/mol
Exact Mass434.14
IUPAC Name2-[6-(6-fluoro-1H-indol-3-yl)naphthalen-1-yl]-5-(3-methoxyphenyl)-1,3-oxazole
SMILESCOc1cccc(-c2cnc(-c3cccc4cc(-c5c[nH]c6cc(F)ccc56)ccc34)o2)c1
InChIInChI=1S/C28H19FN2O2/c1-32-21-6-2-5-19(13-21)27-16-31-28(33-27)24-7-3-4-17-12-18(8-10-22(17)24)25-15-30-26-14-20(29)9-11-23(25)26/h2-16,30H,1H3
InChIKeyGQVMNXKMRSJFAM-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

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CID 507819
5-(2-Amino-ethoxy)-6-fluoro-3-(1H-pyrrol-2-yl)-1H-benzo[cd]indol-2-one
CID 9836341
5-Ethoxy-6-fluoro-3-(1H-pyrrol-2-yl)-1H-benzo[cd]indol-2-one
CID 9922207
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-2,3-dihydro-1H-indole-2,3-dione
CID 23647542
6-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-(furan-2-yl)isoquinoline
CID 23647585
(3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-[(5-methylfuran-2-yl)methylidene]-2,3-dihydro-1H-indol-2-one
CID 23647568
6-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}isoquinolin-1-ol
CID 10309844
(3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-(phenylmethylidene)-2,3-dihydro-1H-indol-2-one
CID 23647557
(3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-[(4,5-dimethylfuran-2-yl)methylidene]-2,3-dihydro-1H-indol-2-one
CID 23647569
1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-[3-[(S)-2-(2-benzooxazol-6-yl-ethylamino)-1-methyl-ethyl]-2-(3,5-dimethyl-phenyl)-1H-indol-5-yl]-2-methyl-propan-1-one
CID 44380536
N,N-dimethyl-2-[5-(5-methyl-1,3-oxazol-2-yl)-1H-indol-3-yl]ethanamine
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CID 15603614

Frequently Asked Questions

What is the IUPAC name of 2-[6-(6-fluoro-1H-indol-3-yl)naphthalen-1-yl]-5-(3-methoxyphenyl)-1,3-oxazole?
The IUPAC name of 2-[6-(6-fluoro-1H-indol-3-yl)naphthalen-1-yl]-5-(3-methoxyphenyl)-1,3-oxazole (CID 72708458) is 2-[6-(6-fluoro-1H-indol-3-yl)naphthalen-1-yl]-5-(3-methoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 2-[6-(6-fluoro-1H-indol-3-yl)naphthalen-1-yl]-5-(3-methoxyphenyl)-1,3-oxazole?
The canonical SMILES for 2-[6-(6-fluoro-1H-indol-3-yl)naphthalen-1-yl]-5-(3-methoxyphenyl)-1,3-oxazole is COc1cccc(-c2cnc(-c3cccc4cc(-c5c[nH]c6cc(F)ccc56)ccc34)o2)c1.
What is the InChIKey of 2-[6-(6-fluoro-1H-indol-3-yl)naphthalen-1-yl]-5-(3-methoxyphenyl)-1,3-oxazole?
The InChIKey is GQVMNXKMRSJFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19FN2O2/c1-32-21-6-2-5-19(13-21)27-16-31-28(33-27)24-7-3-4-17-12-18(8-10-22(17)24)25-15-30-26-14-20(29)9-11-23(25)26/h2-16,30H,1H3.
What are the key properties of 2-[6-(6-fluoro-1H-indol-3-yl)naphthalen-1-yl]-5-(3-methoxyphenyl)-1,3-oxazole?
2-[6-(6-fluoro-1H-indol-3-yl)naphthalen-1-yl]-5-(3-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-(3-methoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 72708458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).