2-(2-bromophenyl)-5-(1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid

C18H11BrN2O3 — CID 166521283

IUPAC2-(2-bromophenyl)-5-(1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccccc2Br)oc1-c1c[nH]c2ccccc12
InChIInChI=1S/C18H11BrN2O3/c19-13-7-3-1-6-11(13)17-21-15(18(22)23)16(24-17)12-9-20-14-8-4-2-5-10(12)14/h1-9,20H,(H,22,23)
InChIKeyDIVXTEAGTIUEOS-UHFFFAOYSA-N
MW383.20 g/mol
LogP4.95
Rot. Bonds3

About 2-(2-bromophenyl)-5-(1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid

2-(2-bromophenyl)-5-(1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid (PubChem CID 166521283) has the molecular formula C18H11BrN2O3 and a molecular weight of 383.20 g/mol. Its IUPAC name is 2-(2-bromophenyl)-5-(1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-bromophenyl)-5-(1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid
PubChem CID166521283
Molecular FormulaC18H11BrN2O3
Molecular Weight383.20 g/mol
Exact Mass382.00
IUPAC Name2-(2-bromophenyl)-5-(1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccccc2Br)oc1-c1c[nH]c2ccccc12
InChIInChI=1S/C18H11BrN2O3/c19-13-7-3-1-6-11(13)17-21-15(18(22)23)16(24-17)12-9-20-14-8-4-2-5-10(12)14/h1-9,20H,(H,22,23)
InChIKeyDIVXTEAGTIUEOS-UHFFFAOYSA-N
XLogP4.95
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.20
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1H-indol-3-yl)-2-(2-nitrophenyl)-1,3-oxazole-4-carboxylic acid
CID 166521275
2-(4-chlorophenyl)-5-(1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid
CID 86048852
2-[1-(dimethylamino)-3-methylbutyl]-5-(1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid
CID 157180375
2-[(1R,3R)-1-(dimethylamino)-3-methylpentyl]-5-(1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid
CID 10689568
1-[2-(2-bromophenyl)-5-methyl-1,3-oxazol-4-yl]ethanone
CID 29016179
2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 858962
4-(1H-indol-3-yl)-3-methyl-1,2-oxazole-5-carboxylic acid
CID 82373555
2-[4-(4-carboxy-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylic acid
CID 71408646
4-(1H-indol-3-yl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid
CID 82487831
4-(1H-indol-3-yl)-1H-imidazole-5-carboxylic acid
CID 82287914
8-chloro-2-(1H-indol-3-yl)quinoline-4-carboxylic acid
CID 18729725
5-(1H-indol-3-yl)thiophene-3-carboxylic acid
CID 82478024

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-5-(1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(2-bromophenyl)-5-(1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid (CID 166521283) is 2-(2-bromophenyl)-5-(1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-bromophenyl)-5-(1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(2-bromophenyl)-5-(1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid is O=C(O)c1nc(-c2ccccc2Br)oc1-c1c[nH]c2ccccc12.
What is the InChIKey of 2-(2-bromophenyl)-5-(1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is DIVXTEAGTIUEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrN2O3/c19-13-7-3-1-6-11(13)17-21-15(18(22)23)16(24-17)12-9-20-14-8-4-2-5-10(12)14/h1-9,20H,(H,22,23).
What are the key properties of 2-(2-bromophenyl)-5-(1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid?
2-(2-bromophenyl)-5-(1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid has a molecular weight of 383.20 g/mol, XLogP of 4.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-5-(1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 166521283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).