[3-(4-chloro-2-methyl-1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine

C12H11ClN4O — CID 117411456

IUPAC[3-(4-chloro-2-methyl-1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCc1cc2c(Cl)c(-c3noc(CN)n3)ccc2[nH]1
InChIInChI=1S/C12H11ClN4O/c1-6-4-8-9(15-6)3-2-7(11(8)13)12-16-10(5-14)18-17-12/h2-4,15H,5,14H2,1H3
InChIKeyBLZNZEMMXVVRFZ-UHFFFAOYSA-N
MW262.70 g/mol
LogP2.64
Rot. Bonds2

About [3-(4-chloro-2-methyl-1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine

[3-(4-chloro-2-methyl-1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 117411456) has the molecular formula C12H11ClN4O and a molecular weight of 262.70 g/mol. Its IUPAC name is [3-(4-chloro-2-methyl-1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(4-chloro-2-methyl-1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID117411456
Molecular FormulaC12H11ClN4O
Molecular Weight262.70 g/mol
Exact Mass262.06
IUPAC Name[3-(4-chloro-2-methyl-1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCc1cc2c(Cl)c(-c3noc(CN)n3)ccc2[nH]1
InChIInChI=1S/C12H11ClN4O/c1-6-4-8-9(15-6)3-2-7(11(8)13)12-16-10(5-14)18-17-12/h2-4,15H,5,14H2,1H3
InChIKeyBLZNZEMMXVVRFZ-UHFFFAOYSA-N
XLogP2.64
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-chloro-3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117427190
[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 23008067
[3-(2-chloro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117351733
[3-(5-chloro-3,4-dimethoxy-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117455960
[3-(2,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 71829645
2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-chloro-6-methylphenol
CID 136952236
[3-(3-chloro-2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117397358
[3-(2,3,4,5-tetramethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117334554
[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 82473258
[3-(2-chloro-3-fluoro-6-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117356000
[3-[2-chloro-4-(difluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117403158
[3-(6-chloro-2,3-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117348084

Frequently Asked Questions

What is the IUPAC name of [3-(4-chloro-2-methyl-1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-(4-chloro-2-methyl-1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine (CID 117411456) is [3-(4-chloro-2-methyl-1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-(4-chloro-2-methyl-1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-(4-chloro-2-methyl-1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine is Cc1cc2c(Cl)c(-c3noc(CN)n3)ccc2[nH]1.
What is the InChIKey of [3-(4-chloro-2-methyl-1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is BLZNZEMMXVVRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O/c1-6-4-8-9(15-6)3-2-7(11(8)13)12-16-10(5-14)18-17-12/h2-4,15H,5,14H2,1H3.
What are the key properties of [3-(4-chloro-2-methyl-1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine?
[3-(4-chloro-2-methyl-1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 262.70 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chloro-2-methyl-1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 117411456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).