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

C28H19FN2O — CID 139215786

IUPAC2-[7-(6-fluoro-1H-indol-3-yl)naphthalen-2-yl]-5-(2-methylphenyl)-1,3-oxazole
SMILESCc1ccccc1-c1cnc(-c2ccc3ccc(-c4c[nH]c5cc(F)ccc45)cc3c2)o1
InChIInChI=1S/C28H19FN2O/c1-17-4-2-3-5-23(17)27-16-31-28(32-27)20-9-7-18-6-8-19(12-21(18)13-20)25-15-30-26-14-22(29)10-11-24(25)26/h2-16,30H,1H3
InChIKeyDATFVIKNEKZBQV-UHFFFAOYSA-N
MW418.47 g/mol
LogP7.76
Rot. Bonds3

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

2-[7-(6-fluoro-1H-indol-3-yl)naphthalen-2-yl]-5-(2-methylphenyl)-1,3-oxazole (PubChem CID 139215786) has the molecular formula C28H19FN2O and a molecular weight of 418.47 g/mol. Its IUPAC name is 2-[7-(6-fluoro-1H-indol-3-yl)naphthalen-2-yl]-5-(2-methylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-[7-(6-fluoro-1H-indol-3-yl)naphthalen-2-yl]-5-(2-methylphenyl)-1,3-oxazole
PubChem CID139215786
Molecular FormulaC28H19FN2O
Molecular Weight418.47 g/mol
Exact Mass418.15
IUPAC Name2-[7-(6-fluoro-1H-indol-3-yl)naphthalen-2-yl]-5-(2-methylphenyl)-1,3-oxazole
SMILESCc1ccccc1-c1cnc(-c2ccc3ccc(-c4c[nH]c5cc(F)ccc45)cc3c2)o1
InChIInChI=1S/C28H19FN2O/c1-17-4-2-3-5-23(17)27-16-31-28(32-27)20-9-7-18-6-8-19(12-21(18)13-20)25-15-30-26-14-22(29)10-11-24(25)26/h2-16,30H,1H3
InChIKeyDATFVIKNEKZBQV-UHFFFAOYSA-N
XLogP7.76
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.47
LogP ≤ 57.76
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-5-yl-1H-indol-3-yl)ethane-1,2-dione
CID 507826
1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-oxazol-2-yl-1H-indol-3-yl)ethane-1,2-dione
CID 507881
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
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
(R)-(6-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)(5-(pyridin-2-yl)oxazol-2-yl)methanone
CID 52951691
(S)-(6-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)(5-(pyridin-2-yl)oxazol-2-yl)methanone
CID 52952694

Frequently Asked Questions

What is the IUPAC name of 2-[7-(6-fluoro-1H-indol-3-yl)naphthalen-2-yl]-5-(2-methylphenyl)-1,3-oxazole?
The IUPAC name of 2-[7-(6-fluoro-1H-indol-3-yl)naphthalen-2-yl]-5-(2-methylphenyl)-1,3-oxazole (CID 139215786) is 2-[7-(6-fluoro-1H-indol-3-yl)naphthalen-2-yl]-5-(2-methylphenyl)-1,3-oxazole.
What is the SMILES notation for 2-[7-(6-fluoro-1H-indol-3-yl)naphthalen-2-yl]-5-(2-methylphenyl)-1,3-oxazole?
The canonical SMILES for 2-[7-(6-fluoro-1H-indol-3-yl)naphthalen-2-yl]-5-(2-methylphenyl)-1,3-oxazole is Cc1ccccc1-c1cnc(-c2ccc3ccc(-c4c[nH]c5cc(F)ccc45)cc3c2)o1.
What is the InChIKey of 2-[7-(6-fluoro-1H-indol-3-yl)naphthalen-2-yl]-5-(2-methylphenyl)-1,3-oxazole?
The InChIKey is DATFVIKNEKZBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19FN2O/c1-17-4-2-3-5-23(17)27-16-31-28(32-27)20-9-7-18-6-8-19(12-21(18)13-20)25-15-30-26-14-22(29)10-11-24(25)26/h2-16,30H,1H3.
What are the key properties of 2-[7-(6-fluoro-1H-indol-3-yl)naphthalen-2-yl]-5-(2-methylphenyl)-1,3-oxazole?
2-[7-(6-fluoro-1H-indol-3-yl)naphthalen-2-yl]-5-(2-methylphenyl)-1,3-oxazole has a molecular weight of 418.47 g/mol, XLogP of 7.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(6-fluoro-1H-indol-3-yl)naphthalen-2-yl]-5-(2-methylphenyl)-1,3-oxazole is sourced from PubChem (CID 139215786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).