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

C27H16F2N2O — CID 139215799

IUPAC2-[6-(6-fluoro-1H-indol-3-yl)naphthalen-1-yl]-5-(4-fluorophenyl)-1,3-oxazole
SMILESFc1ccc(-c2cnc(-c3cccc4cc(-c5c[nH]c6cc(F)ccc56)ccc34)o2)cc1
InChIInChI=1S/C27H16F2N2O/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
InChIKeyXXTIGHPDXFEGMP-UHFFFAOYSA-N
MW422.43 g/mol
LogP7.59
Rot. Bonds3

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

2-[6-(6-fluoro-1H-indol-3-yl)naphthalen-1-yl]-5-(4-fluorophenyl)-1,3-oxazole (PubChem CID 139215799) has the molecular formula C27H16F2N2O and a molecular weight of 422.43 g/mol. Its IUPAC name is 2-[6-(6-fluoro-1H-indol-3-yl)naphthalen-1-yl]-5-(4-fluorophenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-[6-(6-fluoro-1H-indol-3-yl)naphthalen-1-yl]-5-(4-fluorophenyl)-1,3-oxazole
PubChem CID139215799
Molecular FormulaC27H16F2N2O
Molecular Weight422.43 g/mol
Exact Mass422.12
IUPAC Name2-[6-(6-fluoro-1H-indol-3-yl)naphthalen-1-yl]-5-(4-fluorophenyl)-1,3-oxazole
SMILESFc1ccc(-c2cnc(-c3cccc4cc(-c5c[nH]c6cc(F)ccc56)ccc34)o2)cc1
InChIInChI=1S/C27H16F2N2O/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
InChIKeyXXTIGHPDXFEGMP-UHFFFAOYSA-N
XLogP7.59
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.43
LogP ≤ 57.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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
1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-oxazol-2-yl-1H-indol-3-yl)ethane-1,2-dione
CID 507881
7-(Naphthalen-2-yl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptan-1-one
CID 16736617
N,N-dimethyl-2-[5-(5-methyl-1,3-oxazol-2-yl)-1H-indol-3-yl]ethanamine
CID 10445796
N-[3-(1,3-benzoxazol-2-yl)-5-(1H-indol-4-yl)phenyl]acetamide
CID 15603614
2-(1H-indol-3-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]-2-oxoacetamide
CID 44596986
2-(1H-indol-3-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]-2-oxoacetamide
CID 44596987
WS 30581A
CID 125075
2-Ethyl-5-(3-indolyl)oxazole
CID 127008
2-Isobutyl-5-(3-indolyl)oxazole
CID 637460
2-n-Pentyl-5-(3-indolyl)oxazole
CID 5250460
2-(1H-indol-3-yl)-N-[(5-naphthalen-1-ylfuran-2-yl)methyl]ethanamine
CID 155539573

Frequently Asked Questions

What is the IUPAC name of 2-[6-(6-fluoro-1H-indol-3-yl)naphthalen-1-yl]-5-(4-fluorophenyl)-1,3-oxazole?
The IUPAC name of 2-[6-(6-fluoro-1H-indol-3-yl)naphthalen-1-yl]-5-(4-fluorophenyl)-1,3-oxazole (CID 139215799) is 2-[6-(6-fluoro-1H-indol-3-yl)naphthalen-1-yl]-5-(4-fluorophenyl)-1,3-oxazole.
What is the SMILES notation for 2-[6-(6-fluoro-1H-indol-3-yl)naphthalen-1-yl]-5-(4-fluorophenyl)-1,3-oxazole?
The canonical SMILES for 2-[6-(6-fluoro-1H-indol-3-yl)naphthalen-1-yl]-5-(4-fluorophenyl)-1,3-oxazole is Fc1ccc(-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-fluorophenyl)-1,3-oxazole?
The InChIKey is XXTIGHPDXFEGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16F2N2O/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 2-[6-(6-fluoro-1H-indol-3-yl)naphthalen-1-yl]-5-(4-fluorophenyl)-1,3-oxazole?
2-[6-(6-fluoro-1H-indol-3-yl)naphthalen-1-yl]-5-(4-fluorophenyl)-1,3-oxazole has a molecular weight of 422.43 g/mol, XLogP of 7.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 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-fluorophenyl)-1,3-oxazole is sourced from PubChem (CID 139215799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).