6-fluoro-2-[4-(6-fluoro-5-methyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-5-methyl-1,3-benzoxazole

C26H16F2N2O2 — CID 12782441

IUPAC6-fluoro-2-[4-(6-fluoro-5-methyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-5-methyl-1,3-benzoxazole
SMILESCc1cc2nc(-c3ccc(-c4nc5cc(C)c(F)cc5o4)c4ccccc34)oc2cc1F
InChIInChI=1S/C26H16F2N2O2/c1-13-9-21-23(11-19(13)27)31-25(29-21)17-7-8-18(16-6-4-3-5-15(16)17)26-30-22-10-14(2)20(28)12-24(22)32-26/h3-12H,1-2H3
InChIKeyBIGUZIQPVNIUAX-UHFFFAOYSA-N
MW426.42 g/mol
LogP7.35
Rot. Bonds2

About 6-fluoro-2-[4-(6-fluoro-5-methyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-5-methyl-1,3-benzoxazole

6-fluoro-2-[4-(6-fluoro-5-methyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-5-methyl-1,3-benzoxazole (PubChem CID 12782441) has the molecular formula C26H16F2N2O2 and a molecular weight of 426.42 g/mol. Its IUPAC name is 6-fluoro-2-[4-(6-fluoro-5-methyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-5-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name6-fluoro-2-[4-(6-fluoro-5-methyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-5-methyl-1,3-benzoxazole
PubChem CID12782441
Molecular FormulaC26H16F2N2O2
Molecular Weight426.42 g/mol
Exact Mass426.12
IUPAC Name6-fluoro-2-[4-(6-fluoro-5-methyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-5-methyl-1,3-benzoxazole
SMILESCc1cc2nc(-c3ccc(-c4nc5cc(C)c(F)cc5o4)c4ccccc34)oc2cc1F
InChIInChI=1S/C26H16F2N2O2/c1-13-9-21-23(11-19(13)27)31-25(29-21)17-7-8-18(16-6-4-3-5-15(16)17)26-30-22-10-14(2)20(28)12-24(22)32-26/h3-12H,1-2H3
InChIKeyBIGUZIQPVNIUAX-UHFFFAOYSA-N
XLogP7.35
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.42
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 650480
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CID 73744
Naphth[1,2-d]oxazole, 2-methyl-
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CID 81919

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[4-(6-fluoro-5-methyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-5-methyl-1,3-benzoxazole?
The IUPAC name of 6-fluoro-2-[4-(6-fluoro-5-methyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-5-methyl-1,3-benzoxazole (CID 12782441) is 6-fluoro-2-[4-(6-fluoro-5-methyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-5-methyl-1,3-benzoxazole.
What is the SMILES notation for 6-fluoro-2-[4-(6-fluoro-5-methyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-5-methyl-1,3-benzoxazole?
The canonical SMILES for 6-fluoro-2-[4-(6-fluoro-5-methyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-5-methyl-1,3-benzoxazole is Cc1cc2nc(-c3ccc(-c4nc5cc(C)c(F)cc5o4)c4ccccc34)oc2cc1F.
What is the InChIKey of 6-fluoro-2-[4-(6-fluoro-5-methyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-5-methyl-1,3-benzoxazole?
The InChIKey is BIGUZIQPVNIUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16F2N2O2/c1-13-9-21-23(11-19(13)27)31-25(29-21)17-7-8-18(16-6-4-3-5-15(16)17)26-30-22-10-14(2)20(28)12-24(22)32-26/h3-12H,1-2H3.
What are the key properties of 6-fluoro-2-[4-(6-fluoro-5-methyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-5-methyl-1,3-benzoxazole?
6-fluoro-2-[4-(6-fluoro-5-methyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-5-methyl-1,3-benzoxazole has a molecular weight of 426.42 g/mol, XLogP of 7.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[4-(6-fluoro-5-methyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-5-methyl-1,3-benzoxazole is sourced from PubChem (CID 12782441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).