[3-(3-chloro-1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine

C12H11ClN4O — CID 117411447

IUPAC[3-(3-chloro-1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCn1cc(Cl)c2ccc(-c3noc(CN)n3)cc21
InChIInChI=1S/C12H11ClN4O/c1-17-6-9(13)8-3-2-7(4-10(8)17)12-15-11(5-14)18-16-12/h2-4,6H,5,14H2,1H3
InChIKeyICZLZLWNKKXNHD-UHFFFAOYSA-N
MW262.70 g/mol
LogP2.34
Rot. Bonds2

About [3-(3-chloro-1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine

[3-(3-chloro-1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 117411447) has the molecular formula C12H11ClN4O and a molecular weight of 262.70 g/mol. Its IUPAC name is [3-(3-chloro-1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(3-chloro-1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID117411447
Molecular FormulaC12H11ClN4O
Molecular Weight262.70 g/mol
Exact Mass262.06
IUPAC Name[3-(3-chloro-1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCn1cc(Cl)c2ccc(-c3noc(CN)n3)cc21
InChIInChI=1S/C12H11ClN4O/c1-17-6-9(13)8-3-2-7(4-10(8)17)12-15-11(5-14)18-16-12/h2-4,6H,5,14H2,1H3
InChIKeyICZLZLWNKKXNHD-UHFFFAOYSA-N
XLogP2.34
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117359747
[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 82473258
5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-chloroaniline
CID 115112709
[3-(3-methyl-1,2-benzoxazol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117332233
[3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117330229
[3-(1,3-dimethylindazol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117359748
[3-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 82487508
(3-isoquinolin-6-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 117325171
[3-(1,2-benzothiazol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117336157
5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-methoxyaniline
CID 115112713
6-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-1-methyl-3H-indol-2-one
CID 117362341
[3-(3-chloro-4-cyclopropylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117498901

Frequently Asked Questions

What is the IUPAC name of [3-(3-chloro-1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-(3-chloro-1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine (CID 117411447) is [3-(3-chloro-1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-(3-chloro-1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-(3-chloro-1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine is Cn1cc(Cl)c2ccc(-c3noc(CN)n3)cc21.
What is the InChIKey of [3-(3-chloro-1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is ICZLZLWNKKXNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O/c1-17-6-9(13)8-3-2-7(4-10(8)17)12-15-11(5-14)18-16-12/h2-4,6H,5,14H2,1H3.
What are the key properties of [3-(3-chloro-1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine?
[3-(3-chloro-1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 262.70 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-chloro-1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 117411447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).