3-(3-bromophenyl)-5-(2,3-dihydro-1H-indol-5-yl)-1,2,4-oxadiazole

C16H12BrN3O — CID 43325515

IUPAC3-(3-bromophenyl)-5-(2,3-dihydro-1H-indol-5-yl)-1,2,4-oxadiazole
SMILESBrc1cccc(-c2noc(-c3ccc4c(c3)CCN4)n2)c1
InChIInChI=1S/C16H12BrN3O/c17-13-3-1-2-11(9-13)15-19-16(21-20-15)12-4-5-14-10(8-12)6-7-18-14/h1-5,8-9,18H,6-7H2
InChIKeyAIIZHPAIVUBZSZ-UHFFFAOYSA-N
MW342.20 g/mol
LogP4.13
Rot. Bonds2

About 3-(3-bromophenyl)-5-(2,3-dihydro-1H-indol-5-yl)-1,2,4-oxadiazole

3-(3-bromophenyl)-5-(2,3-dihydro-1H-indol-5-yl)-1,2,4-oxadiazole (PubChem CID 43325515) has the molecular formula C16H12BrN3O and a molecular weight of 342.20 g/mol. Its IUPAC name is 3-(3-bromophenyl)-5-(2,3-dihydro-1H-indol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-bromophenyl)-5-(2,3-dihydro-1H-indol-5-yl)-1,2,4-oxadiazole
PubChem CID43325515
Molecular FormulaC16H12BrN3O
Molecular Weight342.20 g/mol
Exact Mass341.02
IUPAC Name3-(3-bromophenyl)-5-(2,3-dihydro-1H-indol-5-yl)-1,2,4-oxadiazole
SMILESBrc1cccc(-c2noc(-c3ccc4c(c3)CCN4)n2)c1
InChIInChI=1S/C16H12BrN3O/c17-13-3-1-2-11(9-13)15-19-16(21-20-15)12-4-5-14-10(8-12)6-7-18-14/h1-5,8-9,18H,6-7H2
InChIKeyAIIZHPAIVUBZSZ-UHFFFAOYSA-N
XLogP4.13
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,3-dihydro-1H-indol-5-yl)-3-phenyl-1,2,4-oxadiazole
CID 43325507
5-(2,3-dihydro-1H-indol-5-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole
CID 43622149
5-(2,3-dihydro-1H-indol-5-yl)-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole
CID 63891268
5-(2,3-dihydro-1H-indol-5-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 65330487
5-(1,2,3,4-tetrahydroquinolin-6-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 43325498
5-(2,3-dihydro-1H-indol-5-yl)-3-(1,4-dioxan-2-yl)-1,2,4-oxadiazole
CID 65353424
3-(3-bromophenyl)-5-(3-chloro-4-methylphenyl)-1,2,4-oxadiazole
CID 8895295
5-(2,3-dihydro-1H-indol-5-yl)-3-(2-ethoxyethyl)-1,2,4-oxadiazole
CID 106814581
5-(3-bromophenyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 5191480
5-(2,3-dihydro-1H-indol-5-yl)-3-(1-ethoxyethyl)-1,2,4-oxadiazole
CID 64539406
5-(2,3-dihydro-1H-indol-5-yl)-3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazole
CID 116703929
5-(3-bromophenyl)-3-(2,6-difluorophenyl)-1,2,4-oxadiazole
CID 7354772

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-5-(2,3-dihydro-1H-indol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-bromophenyl)-5-(2,3-dihydro-1H-indol-5-yl)-1,2,4-oxadiazole (CID 43325515) is 3-(3-bromophenyl)-5-(2,3-dihydro-1H-indol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-bromophenyl)-5-(2,3-dihydro-1H-indol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-bromophenyl)-5-(2,3-dihydro-1H-indol-5-yl)-1,2,4-oxadiazole is Brc1cccc(-c2noc(-c3ccc4c(c3)CCN4)n2)c1.
What is the InChIKey of 3-(3-bromophenyl)-5-(2,3-dihydro-1H-indol-5-yl)-1,2,4-oxadiazole?
The InChIKey is AIIZHPAIVUBZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O/c17-13-3-1-2-11(9-13)15-19-16(21-20-15)12-4-5-14-10(8-12)6-7-18-14/h1-5,8-9,18H,6-7H2.
What are the key properties of 3-(3-bromophenyl)-5-(2,3-dihydro-1H-indol-5-yl)-1,2,4-oxadiazole?
3-(3-bromophenyl)-5-(2,3-dihydro-1H-indol-5-yl)-1,2,4-oxadiazole has a molecular weight of 342.20 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-5-(2,3-dihydro-1H-indol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 43325515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).