3-(4-bromophenyl)-4-(1H-indol-3-yl)-1,2-oxazole

C17H11BrN2O — CID 155806824

IUPAC3-(4-bromophenyl)-4-(1H-indol-3-yl)-1,2-oxazole
SMILESBrc1ccc(-c2nocc2-c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C17H11BrN2O/c18-12-7-5-11(6-8-12)17-15(10-21-20-17)14-9-19-16-4-2-1-3-13(14)16/h1-10,19H
InChIKeySYCIOWZYNPABLD-UHFFFAOYSA-N
MW339.19 g/mol
LogP5.25
Rot. Bonds2

About 3-(4-bromophenyl)-4-(1H-indol-3-yl)-1,2-oxazole

3-(4-bromophenyl)-4-(1H-indol-3-yl)-1,2-oxazole (PubChem CID 155806824) has the molecular formula C17H11BrN2O and a molecular weight of 339.19 g/mol. Its IUPAC name is 3-(4-bromophenyl)-4-(1H-indol-3-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-(4-bromophenyl)-4-(1H-indol-3-yl)-1,2-oxazole
PubChem CID155806824
Molecular FormulaC17H11BrN2O
Molecular Weight339.19 g/mol
Exact Mass338.01
IUPAC Name3-(4-bromophenyl)-4-(1H-indol-3-yl)-1,2-oxazole
SMILESBrc1ccc(-c2nocc2-c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C17H11BrN2O/c18-12-7-5-11(6-8-12)17-15(10-21-20-17)14-9-19-16-4-2-1-3-13(14)16/h1-10,19H
InChIKeySYCIOWZYNPABLD-UHFFFAOYSA-N
XLogP5.25
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.19
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1H-quinolin-4-one
CID 135636020
2-amino-6-(4-bromophenyl)-4-(1H-indol-3-yl)pyridine-3-carbonitrile
CID 10572392
4-[4-(4-bromophenyl)-6-(1H-indol-3-yl)pyrimidin-2-yl]morpholine
CID 69072137
methane;3-phenyl-1H-indole
CID 167711687
3-pyridin-4-yl-1H-indole
CID 159430533
6-bromo-3-(4-bromophenyl)-1H-indole
CID 118648675
3-[2,4-bis(4-fluorophenyl)-1H-imidazol-5-yl]-1H-indole
CID 139758003
3-(4-phenyl-1H-imidazol-5-yl)-1H-indole
CID 141454791
5-(4-bromophenyl)-11H-indolo[3,2-c]isoquinoline
CID 101486334
4-(1H-indol-3-yl)-1,3-oxazole
CID 45276627
3-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole
CID 11180628

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-4-(1H-indol-3-yl)-1,2-oxazole?
The IUPAC name of 3-(4-bromophenyl)-4-(1H-indol-3-yl)-1,2-oxazole (CID 155806824) is 3-(4-bromophenyl)-4-(1H-indol-3-yl)-1,2-oxazole.
What is the SMILES notation for 3-(4-bromophenyl)-4-(1H-indol-3-yl)-1,2-oxazole?
The canonical SMILES for 3-(4-bromophenyl)-4-(1H-indol-3-yl)-1,2-oxazole is Brc1ccc(-c2nocc2-c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 3-(4-bromophenyl)-4-(1H-indol-3-yl)-1,2-oxazole?
The InChIKey is SYCIOWZYNPABLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrN2O/c18-12-7-5-11(6-8-12)17-15(10-21-20-17)14-9-19-16-4-2-1-3-13(14)16/h1-10,19H.
What are the key properties of 3-(4-bromophenyl)-4-(1H-indol-3-yl)-1,2-oxazole?
3-(4-bromophenyl)-4-(1H-indol-3-yl)-1,2-oxazole has a molecular weight of 339.19 g/mol, XLogP of 5.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-4-(1H-indol-3-yl)-1,2-oxazole is sourced from PubChem (CID 155806824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).