3-[(6-chloroindol-1-yl)methyl]-1,2,4-oxadiazole

C11H8ClN3O — CID 116620553

IUPAC3-[(6-chloroindol-1-yl)methyl]-1,2,4-oxadiazole
SMILESClc1ccc2ccn(Cc3ncon3)c2c1
InChIInChI=1S/C11H8ClN3O/c12-9-2-1-8-3-4-15(10(8)5-9)6-11-13-7-16-14-11/h1-5,7H,6H2
InChIKeyRIXIXLNRAMQVAG-UHFFFAOYSA-N
MW233.66 g/mol
LogP2.73
Rot. Bonds2

About 3-[(6-chloroindol-1-yl)methyl]-1,2,4-oxadiazole

3-[(6-chloroindol-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 116620553) has the molecular formula C11H8ClN3O and a molecular weight of 233.66 g/mol. Its IUPAC name is 3-[(6-chloroindol-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(6-chloroindol-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID116620553
Molecular FormulaC11H8ClN3O
Molecular Weight233.66 g/mol
Exact Mass233.04
IUPAC Name3-[(6-chloroindol-1-yl)methyl]-1,2,4-oxadiazole
SMILESClc1ccc2ccn(Cc3ncon3)c2c1
InChIInChI=1S/C11H8ClN3O/c12-9-2-1-8-3-4-15(10(8)5-9)6-11-13-7-16-14-11/h1-5,7H,6H2
InChIKeyRIXIXLNRAMQVAG-UHFFFAOYSA-N
XLogP2.73
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.66
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[1-(1,2,4-oxadiazol-3-ylmethyl)indol-6-yl]methanamine
CID 102916629
N-[[1-(1,2,4-oxadiazol-3-ylmethyl)indol-6-yl]methyl]propan-1-amine
CID 102916807
6-chloro-1-[(4-chloro-2-fluorophenyl)methyl]indole
CID 114859541
5-chloro-3-(1,2,4-oxadiazol-3-ylmethyl)-1H-benzimidazole-2-thione
CID 106405472
2-[(6-chloroindol-1-yl)methyl]-4,5-dimethyl-1,3-oxazole
CID 116620548
N-[[1-(1,2,4-oxadiazol-3-ylmethyl)indol-5-yl]methyl]propan-2-amine
CID 102916137
6-chloro-1-[(3,4-difluorophenyl)methyl]indole
CID 116620611
6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]indole
CID 103041483
6-chloro-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine
CID 106406239
4-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-2-one
CID 130485298
6-chloro-1-[(2-methoxy-3-pyridinyl)methyl]indole
CID 116620449
1-[(3-bromo-4-fluorophenyl)methyl]-6-chloroindole
CID 116620438

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloroindol-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(6-chloroindol-1-yl)methyl]-1,2,4-oxadiazole (CID 116620553) is 3-[(6-chloroindol-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(6-chloroindol-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(6-chloroindol-1-yl)methyl]-1,2,4-oxadiazole is Clc1ccc2ccn(Cc3ncon3)c2c1.
What is the InChIKey of 3-[(6-chloroindol-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is RIXIXLNRAMQVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O/c12-9-2-1-8-3-4-15(10(8)5-9)6-11-13-7-16-14-11/h1-5,7H,6H2.
What are the key properties of 3-[(6-chloroindol-1-yl)methyl]-1,2,4-oxadiazole?
3-[(6-chloroindol-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 233.66 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloroindol-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 116620553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).