5-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole

C24H19BrFNO4 — CID 141261474

IUPAC5-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole
SMILESCOc1ccc(-c2ncoc2-c2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1F
InChIInChI=1S/C24H19BrFNO4/c1-28-20-9-8-16(11-19(20)26)22-23(31-14-27-22)17-10-18(25)24(21(12-17)29-2)30-13-15-6-4-3-5-7-15/h3-12,14H,13H2,1-2H3
InChIKeyBMNYDKPXWVLYFI-UHFFFAOYSA-N
MW484.32 g/mol
LogP6.51
Rot. Bonds7

About 5-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole

5-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole (PubChem CID 141261474) has the molecular formula C24H19BrFNO4 and a molecular weight of 484.32 g/mol. Its IUPAC name is 5-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole
PubChem CID141261474
Molecular FormulaC24H19BrFNO4
Molecular Weight484.32 g/mol
Exact Mass483.05
IUPAC Name5-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole
SMILESCOc1ccc(-c2ncoc2-c2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1F
InChIInChI=1S/C24H19BrFNO4/c1-28-20-9-8-16(11-19(20)26)22-23(31-14-27-22)17-10-18(25)24(21(12-17)29-2)30-13-15-6-4-3-5-7-15/h3-12,14H,13H2,1-2H3
InChIKeyBMNYDKPXWVLYFI-UHFFFAOYSA-N
XLogP6.51
TPSA53.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.32
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-4-(3,5-dimethoxyphenyl)-1,3-oxazole
CID 141261435
4-(3,4-dimethoxyphenyl)-5-phenyl-1,3-oxazole
CID 21408543
(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methanamine
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N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]ethanamine
CID 4716491
5-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-2H-triazole-4-carboxamide
CID 169403795
5-[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]-2H-tetrazole
CID 132591898
5-bromo-1,3-dimethoxy-2-phenylmethoxybenzene
CID 71601563
N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride
CID 17292601
4-[4-(4-bromophenyl)phenyl]-2-fluoro-1-phenylmethoxybenzene
CID 54061452
2-(3-fluoro-4-methoxyphenyl)-6-phenylmethoxypyrazine
CID 167980981
1-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylamino]propan-2-ol
CID 4716208
1-bromo-5-(bromomethyl)-2-[(3,4-difluorophenyl)methoxy]-3-methoxybenzene
CID 82916368

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole?
The IUPAC name of 5-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole (CID 141261474) is 5-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 5-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole?
The canonical SMILES for 5-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole is COc1ccc(-c2ncoc2-c2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1F.
What is the InChIKey of 5-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole?
The InChIKey is BMNYDKPXWVLYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BrFNO4/c1-28-20-9-8-16(11-19(20)26)22-23(31-14-27-22)17-10-18(25)24(21(12-17)29-2)30-13-15-6-4-3-5-7-15/h3-12,14H,13H2,1-2H3.
What are the key properties of 5-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole?
5-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole has a molecular weight of 484.32 g/mol, XLogP of 6.51, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 141261474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).