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

C10H11N3O2 — CID 16767461

IUPAC[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCOc1ccccc1-c1nc(CN)no1
InChIInChI=1S/C10H11N3O2/c1-14-8-5-3-2-4-7(8)10-12-9(6-11)13-15-10/h2-5H,6,11H2,1H3
InChIKeySMBJNBGXBLKEBD-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.20
Rot. Bonds3

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

[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 16767461) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is [5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID16767461
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCOc1ccccc1-c1nc(CN)no1
InChIInChI=1S/C10H11N3O2/c1-14-8-5-3-2-4-7(8)10-12-9(6-11)13-15-10/h2-5H,6,11H2,1H3
InChIKeySMBJNBGXBLKEBD-UHFFFAOYSA-N
XLogP1.20
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]aniline
CID 99988179
[5-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61324376
N-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 55065529
2-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]aniline
CID 61261410
(5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 61324776
5-(2-chlorophenyl)-3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole
CID 874813
1-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 61325221
[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61326008
[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660254
N',N'-diethyl-1-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635521
5-(2-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 2243275
[5-(2-methoxyphenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 82472126

Frequently Asked Questions

What is the IUPAC name of [5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of [5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methanamine (CID 16767461) is [5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for [5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for [5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methanamine is COc1ccccc1-c1nc(CN)no1.
What is the InChIKey of [5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is SMBJNBGXBLKEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-14-8-5-3-2-4-7(8)10-12-9(6-11)13-15-10/h2-5H,6,11H2,1H3.
What are the key properties of [5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methanamine?
[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 205.22 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 16767461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).