2-(3-fluoro-2-methylphenyl)-6-(4-methoxy-3,5-dimethylphenyl)-1,3-benzoxazole

C23H20FNO2 — CID 46089104

IUPAC2-(3-fluoro-2-methylphenyl)-6-(4-methoxy-3,5-dimethylphenyl)-1,3-benzoxazole
SMILESCOc1c(C)cc(-c2ccc3nc(-c4cccc(F)c4C)oc3c2)cc1C
InChIInChI=1S/C23H20FNO2/c1-13-10-17(11-14(2)22(13)26-4)16-8-9-20-21(12-16)27-23(25-20)18-6-5-7-19(24)15(18)3/h5-12H,1-4H3
InChIKeyCGHHXIQXMLUZJI-UHFFFAOYSA-N
MW361.42 g/mol
LogP6.23
Rot. Bonds3

About 2-(3-fluoro-2-methylphenyl)-6-(4-methoxy-3,5-dimethylphenyl)-1,3-benzoxazole

2-(3-fluoro-2-methylphenyl)-6-(4-methoxy-3,5-dimethylphenyl)-1,3-benzoxazole (PubChem CID 46089104) has the molecular formula C23H20FNO2 and a molecular weight of 361.42 g/mol. Its IUPAC name is 2-(3-fluoro-2-methylphenyl)-6-(4-methoxy-3,5-dimethylphenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(3-fluoro-2-methylphenyl)-6-(4-methoxy-3,5-dimethylphenyl)-1,3-benzoxazole
PubChem CID46089104
Molecular FormulaC23H20FNO2
Molecular Weight361.42 g/mol
Exact Mass361.15
IUPAC Name2-(3-fluoro-2-methylphenyl)-6-(4-methoxy-3,5-dimethylphenyl)-1,3-benzoxazole
SMILESCOc1c(C)cc(-c2ccc3nc(-c4cccc(F)c4C)oc3c2)cc1C
InChIInChI=1S/C23H20FNO2/c1-13-10-17(11-14(2)22(13)26-4)16-8-9-20-21(12-16)27-23(25-20)18-6-5-7-19(24)15(18)3/h5-12H,1-4H3
InChIKeyCGHHXIQXMLUZJI-UHFFFAOYSA-N
XLogP6.23
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.42
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-fluorophenyl)-2-(4-methoxyphenyl)-1,3-benzoxazole
CID 23025909
[2,6-dimethoxy-4-[6-(4-methoxy-3,5-dimethylphenyl)-1,3-benzoxazol-2-yl]phenyl] acetate
CID 46089045
6-[4-(trifluoromethyl)phenyl]-2-(2,3,4-trimethoxyphenyl)-1,3-benzoxazole
CID 46085735
2-[6-(1,3-benzodioxol-5-yl)-1,3-benzoxazol-2-yl]-6-fluorophenol
CID 136749194
3-(6-chloro-1,3-benzoxazol-2-yl)-2-methylaniline
CID 81433215
6-(2-fluorophenyl)-2-(3-phenoxyphenyl)-1,3-benzoxazole
CID 23026117
2-(2,3-dimethoxyphenyl)-6-nitro-1,3-benzoxazole
CID 91684001
2-(2,3-dimethoxyphenyl)-5-phenyl-1,3-benzoxazole
CID 91684040
2-(6-chloro-1,3-benzoxazol-2-yl)-6-methylaniline
CID 81433043
N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-5-bromo-2-methoxy-3-methylbenzamide
CID 3532031
2-(3-chlorophenyl)-6-(2,3,4-trimethoxyphenyl)-1,3-benzoxazole
CID 46088966
2-(3-iodo-2-methylphenyl)-6-nitro-1,3-benzoxazole
CID 91675085

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-methylphenyl)-6-(4-methoxy-3,5-dimethylphenyl)-1,3-benzoxazole?
The IUPAC name of 2-(3-fluoro-2-methylphenyl)-6-(4-methoxy-3,5-dimethylphenyl)-1,3-benzoxazole (CID 46089104) is 2-(3-fluoro-2-methylphenyl)-6-(4-methoxy-3,5-dimethylphenyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(3-fluoro-2-methylphenyl)-6-(4-methoxy-3,5-dimethylphenyl)-1,3-benzoxazole?
The canonical SMILES for 2-(3-fluoro-2-methylphenyl)-6-(4-methoxy-3,5-dimethylphenyl)-1,3-benzoxazole is COc1c(C)cc(-c2ccc3nc(-c4cccc(F)c4C)oc3c2)cc1C.
What is the InChIKey of 2-(3-fluoro-2-methylphenyl)-6-(4-methoxy-3,5-dimethylphenyl)-1,3-benzoxazole?
The InChIKey is CGHHXIQXMLUZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FNO2/c1-13-10-17(11-14(2)22(13)26-4)16-8-9-20-21(12-16)27-23(25-20)18-6-5-7-19(24)15(18)3/h5-12H,1-4H3.
What are the key properties of 2-(3-fluoro-2-methylphenyl)-6-(4-methoxy-3,5-dimethylphenyl)-1,3-benzoxazole?
2-(3-fluoro-2-methylphenyl)-6-(4-methoxy-3,5-dimethylphenyl)-1,3-benzoxazole has a molecular weight of 361.42 g/mol, XLogP of 6.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-methylphenyl)-6-(4-methoxy-3,5-dimethylphenyl)-1,3-benzoxazole is sourced from PubChem (CID 46089104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).