[3-(3-chloro-5-methoxy-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine

C11H12ClN3O2 — CID 117387065

IUPAC[3-(3-chloro-5-methoxy-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCOc1cc(Cl)c(C)c(-c2noc(CN)n2)c1
InChIInChI=1S/C11H12ClN3O2/c1-6-8(3-7(16-2)4-9(6)12)11-14-10(5-13)17-15-11/h3-4H,5,13H2,1-2H3
InChIKeyFELCRRNIKZKRRX-UHFFFAOYSA-N
MW253.69 g/mol
LogP2.17
Rot. Bonds3

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

[3-(3-chloro-5-methoxy-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 117387065) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is [3-(3-chloro-5-methoxy-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(3-chloro-5-methoxy-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID117387065
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Name[3-(3-chloro-5-methoxy-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCOc1cc(Cl)c(C)c(-c2noc(CN)n2)c1
InChIInChI=1S/C11H12ClN3O2/c1-6-8(3-7(16-2)4-9(6)12)11-14-10(5-13)17-15-11/h3-4H,5,13H2,1-2H3
InChIKeyFELCRRNIKZKRRX-UHFFFAOYSA-N
XLogP2.17
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(3-chloro-5-methoxy-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine with MolForge

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Related Compounds

[3-(5-chloro-3,4-dimethoxy-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117455960
[3-(2-fluoro-5-methoxy-3-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117346147
[3-(4-methoxy-2,3,5-trimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 82479882
[3-(2,3,4,5-tetramethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117334554
[3-(4-chloro-2,3-dimethoxy-6-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117455967
5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-3-fluoro-2-methoxy-6-methylphenol
CID 117385228
[3-(3-chloro-2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117397358
[3-(2-chloro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117351733
[3-(2-chloro-3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117427190
[3-(6-chloro-2,3-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117348084
[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 23008067
[3-(4-methoxy-2,3,6-trimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 115112733

Frequently Asked Questions

What is the IUPAC name of [3-(3-chloro-5-methoxy-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-(3-chloro-5-methoxy-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine (CID 117387065) is [3-(3-chloro-5-methoxy-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-(3-chloro-5-methoxy-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-(3-chloro-5-methoxy-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine is COc1cc(Cl)c(C)c(-c2noc(CN)n2)c1.
What is the InChIKey of [3-(3-chloro-5-methoxy-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is FELCRRNIKZKRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c1-6-8(3-7(16-2)4-9(6)12)11-14-10(5-13)17-15-11/h3-4H,5,13H2,1-2H3.
What are the key properties of [3-(3-chloro-5-methoxy-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
[3-(3-chloro-5-methoxy-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 253.69 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-chloro-5-methoxy-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 117387065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).