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

C25H22BrNO5 — CID 141261435

IUPAC5-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-4-(3,5-dimethoxyphenyl)-1,3-oxazole
SMILESCOc1cc(OC)cc(-c2ncoc2-c2cc(Br)c(OCc3ccccc3)c(OC)c2)c1
InChIInChI=1S/C25H22BrNO5/c1-28-19-9-17(10-20(13-19)29-2)23-24(32-15-27-23)18-11-21(26)25(22(12-18)30-3)31-14-16-7-5-4-6-8-16/h4-13,15H,14H2,1-3H3
InChIKeyMHLBJVGDKHPBJQ-UHFFFAOYSA-N
MW496.36 g/mol
LogP6.38
Rot. Bonds8

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

5-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-4-(3,5-dimethoxyphenyl)-1,3-oxazole (PubChem CID 141261435) has the molecular formula C25H22BrNO5 and a molecular weight of 496.36 g/mol. Its IUPAC name is 5-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-4-(3,5-dimethoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-4-(3,5-dimethoxyphenyl)-1,3-oxazole
PubChem CID141261435
Molecular FormulaC25H22BrNO5
Molecular Weight496.36 g/mol
Exact Mass495.07
IUPAC Name5-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-4-(3,5-dimethoxyphenyl)-1,3-oxazole
SMILESCOc1cc(OC)cc(-c2ncoc2-c2cc(Br)c(OCc3ccccc3)c(OC)c2)c1
InChIInChI=1S/C25H22BrNO5/c1-28-19-9-17(10-20(13-19)29-2)23-24(32-15-27-23)18-11-21(26)25(22(12-18)30-3)31-14-16-7-5-4-6-8-16/h4-13,15H,14H2,1-3H3
InChIKeyMHLBJVGDKHPBJQ-UHFFFAOYSA-N
XLogP6.38
TPSA62.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.36
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-4-(3,5-dimethoxyphenyl)-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole
CID 141261474
(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methanamine
CID 43622225
5-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-2H-triazole-4-carboxamide
CID 169403795
N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]ethanamine
CID 4716491
5-bromo-1,3-dimethoxy-2-phenylmethoxybenzene
CID 71601563
4-(3,4-dimethoxyphenyl)-5-phenyl-1,3-oxazole
CID 21408543
1-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylamino]propan-2-ol
CID 4716208
1-bromo-5-(chloromethyl)-3-methoxy-2-[(4-methoxyphenyl)methoxy]benzene
CID 43622745
(4Z)-4-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
CID 126085063
N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526438
3-[[2-bromo-4-(bromomethyl)-6-methoxyphenoxy]methyl]pyridine
CID 43622762
N-[(E)-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-4-methoxyaniline
CID 110508918

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-4-(3,5-dimethoxyphenyl)-1,3-oxazole?
The IUPAC name of 5-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-4-(3,5-dimethoxyphenyl)-1,3-oxazole (CID 141261435) is 5-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-4-(3,5-dimethoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 5-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-4-(3,5-dimethoxyphenyl)-1,3-oxazole?
The canonical SMILES for 5-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-4-(3,5-dimethoxyphenyl)-1,3-oxazole is COc1cc(OC)cc(-c2ncoc2-c2cc(Br)c(OCc3ccccc3)c(OC)c2)c1.
What is the InChIKey of 5-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-4-(3,5-dimethoxyphenyl)-1,3-oxazole?
The InChIKey is MHLBJVGDKHPBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22BrNO5/c1-28-19-9-17(10-20(13-19)29-2)23-24(32-15-27-23)18-11-21(26)25(22(12-18)30-3)31-14-16-7-5-4-6-8-16/h4-13,15H,14H2,1-3H3.
What are the key properties of 5-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-4-(3,5-dimethoxyphenyl)-1,3-oxazole?
5-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-4-(3,5-dimethoxyphenyl)-1,3-oxazole has a molecular weight of 496.36 g/mol, XLogP of 6.38, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-4-(3,5-dimethoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 141261435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).