3-[(6-bromoindol-1-yl)methyl]-5-propyl-1,2,4-oxadiazole

C14H14BrN3O — CID 116621916

IUPAC3-[(6-bromoindol-1-yl)methyl]-5-propyl-1,2,4-oxadiazole
SMILESCCCc1nc(Cn2ccc3ccc(Br)cc32)no1
InChIInChI=1S/C14H14BrN3O/c1-2-3-14-16-13(17-19-14)9-18-7-6-10-4-5-11(15)8-12(10)18/h4-8H,2-3,9H2,1H3
InChIKeySIZLKTBLCNNPSJ-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.79
Rot. Bonds4

About 3-[(6-bromoindol-1-yl)methyl]-5-propyl-1,2,4-oxadiazole

3-[(6-bromoindol-1-yl)methyl]-5-propyl-1,2,4-oxadiazole (PubChem CID 116621916) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is 3-[(6-bromoindol-1-yl)methyl]-5-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(6-bromoindol-1-yl)methyl]-5-propyl-1,2,4-oxadiazole
PubChem CID116621916
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name3-[(6-bromoindol-1-yl)methyl]-5-propyl-1,2,4-oxadiazole
SMILESCCCc1nc(Cn2ccc3ccc(Br)cc32)no1
InChIInChI=1S/C14H14BrN3O/c1-2-3-14-16-13(17-19-14)9-18-7-6-10-4-5-11(15)8-12(10)18/h4-8H,2-3,9H2,1H3
InChIKeySIZLKTBLCNNPSJ-UHFFFAOYSA-N
XLogP3.79
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-methylindol-1-yl)methyl]-5-propyl-1,2,4-oxadiazole
CID 116622908
N-methyl-1-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indol-5-yl]methanamine
CID 102915694
7-bromo-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one
CID 78961579
5-[(6-nitroindol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole
CID 116621104
1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indole-4-carbonitrile
CID 107919053
3-[(2-ethylimidazol-1-yl)methyl]-5-propyl-1,2,4-oxadiazole
CID 53193127
1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carbaldehyde
CID 66408352
N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]indol-5-yl]methyl]ethanamine
CID 102915853
methyl 5-[(6-bromoindol-1-yl)methyl]-1,2-oxazole-3-carboxylate
CID 150206903
1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]indole-5-carboxylic acid
CID 63750375
6-bromo-1-(furan-2-ylmethyl)indole
CID 116622096
3-[(6-fluoroindol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 116619906

Frequently Asked Questions

What is the IUPAC name of 3-[(6-bromoindol-1-yl)methyl]-5-propyl-1,2,4-oxadiazole?
The IUPAC name of 3-[(6-bromoindol-1-yl)methyl]-5-propyl-1,2,4-oxadiazole (CID 116621916) is 3-[(6-bromoindol-1-yl)methyl]-5-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(6-bromoindol-1-yl)methyl]-5-propyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(6-bromoindol-1-yl)methyl]-5-propyl-1,2,4-oxadiazole is CCCc1nc(Cn2ccc3ccc(Br)cc32)no1.
What is the InChIKey of 3-[(6-bromoindol-1-yl)methyl]-5-propyl-1,2,4-oxadiazole?
The InChIKey is SIZLKTBLCNNPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-2-3-14-16-13(17-19-14)9-18-7-6-10-4-5-11(15)8-12(10)18/h4-8H,2-3,9H2,1H3.
What are the key properties of 3-[(6-bromoindol-1-yl)methyl]-5-propyl-1,2,4-oxadiazole?
3-[(6-bromoindol-1-yl)methyl]-5-propyl-1,2,4-oxadiazole has a molecular weight of 320.19 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-bromoindol-1-yl)methyl]-5-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 116621916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).