4-(5-bromo-1H-indol-3-yl)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazol-5-one

C24H17BrN2O3 — CID 155929411

IUPAC4-(5-bromo-1H-indol-3-yl)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazol-5-one
SMILESCOc1ccc(C2=NC(c3ccccc3)(c3c[nH]c4ccc(Br)cc34)C(=O)O2)cc1
InChIInChI=1S/C24H17BrN2O3/c1-29-18-10-7-15(8-11-18)22-27-24(23(28)30-22,16-5-3-2-4-6-16)20-14-26-21-12-9-17(25)13-19(20)21/h2-14,26H,1H3
InChIKeyMOESDYNSEFJGPI-UHFFFAOYSA-N
MW461.32 g/mol
LogP5.19
Rot. Bonds4

About 4-(5-bromo-1H-indol-3-yl)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazol-5-one

4-(5-bromo-1H-indol-3-yl)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazol-5-one (PubChem CID 155929411) has the molecular formula C24H17BrN2O3 and a molecular weight of 461.32 g/mol. Its IUPAC name is 4-(5-bromo-1H-indol-3-yl)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-(5-bromo-1H-indol-3-yl)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazol-5-one
PubChem CID155929411
Molecular FormulaC24H17BrN2O3
Molecular Weight461.32 g/mol
Exact Mass460.04
IUPAC Name4-(5-bromo-1H-indol-3-yl)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazol-5-one
SMILESCOc1ccc(C2=NC(c3ccccc3)(c3c[nH]c4ccc(Br)cc34)C(=O)O2)cc1
InChIInChI=1S/C24H17BrN2O3/c1-29-18-10-7-15(8-11-18)22-27-24(23(28)30-22,16-5-3-2-4-6-16)20-14-26-21-12-9-17(25)13-19(20)21/h2-14,26H,1H3
InChIKeyMOESDYNSEFJGPI-UHFFFAOYSA-N
XLogP5.19
TPSA63.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.32
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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(2S)-2-[[6-(5-bromo-1H-indol-3-yl)-6-(4-methoxyphenyl)-4-oxo-hexanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 44569152
(2S)-2-[[6-(5-bromo-1H-indol-3-yl)-6-(4-methoxyphenyl)-4-oxo-hexanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-1H-indol-3-yl)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazol-5-one?
The IUPAC name of 4-(5-bromo-1H-indol-3-yl)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazol-5-one (CID 155929411) is 4-(5-bromo-1H-indol-3-yl)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for 4-(5-bromo-1H-indol-3-yl)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazol-5-one?
The canonical SMILES for 4-(5-bromo-1H-indol-3-yl)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazol-5-one is COc1ccc(C2=NC(c3ccccc3)(c3c[nH]c4ccc(Br)cc34)C(=O)O2)cc1.
What is the InChIKey of 4-(5-bromo-1H-indol-3-yl)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazol-5-one?
The InChIKey is MOESDYNSEFJGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BrN2O3/c1-29-18-10-7-15(8-11-18)22-27-24(23(28)30-22,16-5-3-2-4-6-16)20-14-26-21-12-9-17(25)13-19(20)21/h2-14,26H,1H3.
What are the key properties of 4-(5-bromo-1H-indol-3-yl)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazol-5-one?
4-(5-bromo-1H-indol-3-yl)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazol-5-one has a molecular weight of 461.32 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-1H-indol-3-yl)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 155929411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).