[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine

C10H11N3O — CID 68946909

IUPAC[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine
SMILESCc1noc(-c2ccccc2CN)n1
InChIInChI=1S/C10H11N3O/c1-7-12-10(14-13-7)9-5-3-2-4-8(9)6-11/h2-5H,6,11H2,1H3
InChIKeyMOTYYUZNWIPCIH-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.50
Rot. Bonds2

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

[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine (PubChem CID 68946909) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is [2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine
PubChem CID68946909
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine
SMILESCc1noc(-c2ccccc2CN)n1
InChIInChI=1S/C10H11N3O/c1-7-12-10(14-13-7)9-5-3-2-4-8(9)6-11/h2-5H,6,11H2,1H3
InChIKeyMOTYYUZNWIPCIH-UHFFFAOYSA-N
XLogP1.50
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol;zinc
CID 135979761
5-(2-chlorophenyl)-3-methyl-1,2,4-oxadiazole
CID 30469663
4-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]propyl]morpholine
CID 170870106
N-[(2-bromophenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 43678230
4-amino-2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]butanamide
CID 80543433
N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441440
N-(3-aminobutyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride
CID 119497807
N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(naphthalen-1-ylmethyl)pyridin-2-amine
CID 133318527
[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl] formate
CID 155633061
2-fluoro-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenol
CID 136898430
2-[2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 115345494
1-(diaminomethylidene)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]guanidine
CID 168601956

Frequently Asked Questions

What is the IUPAC name of [2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine?
The IUPAC name of [2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine (CID 68946909) is [2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine.
What is the SMILES notation for [2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine?
The canonical SMILES for [2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine is Cc1noc(-c2ccccc2CN)n1.
What is the InChIKey of [2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine?
The InChIKey is MOTYYUZNWIPCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-7-12-10(14-13-7)9-5-3-2-4-8(9)6-11/h2-5H,6,11H2,1H3.
What are the key properties of [2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine?
[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine has a molecular weight of 189.22 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine is sourced from PubChem (CID 68946909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).