3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-amine

C10H11N3O2 — CID 62470170

IUPAC3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-amine
SMILESCOc1ccccc1Cc1noc(N)n1
InChIInChI=1S/C10H11N3O2/c1-14-8-5-3-2-4-7(8)6-9-12-10(11)15-13-9/h2-5H,6H2,1H3,(H2,11,12,13)
InChIKeyRNAZXSKZUSUDIP-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.25
Rot. Bonds3

About 3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-amine

3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-amine (PubChem CID 62470170) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-amine
PubChem CID62470170
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-amine
SMILESCOc1ccccc1Cc1noc(N)n1
InChIInChI=1S/C10H11N3O2/c1-14-8-5-3-2-4-7(8)6-9-12-10(11)15-13-9/h2-5H,6H2,1H3,(H2,11,12,13)
InChIKeyRNAZXSKZUSUDIP-UHFFFAOYSA-N
XLogP1.25
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 ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]aniline
CID 61261410
4-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
CID 62808037
(1S)-1-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 104899370
3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine
CID 63350470
1-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 61264013
1-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
CID 63350383
2-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 61334308
5-(2-chlorophenyl)-3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole
CID 874813
4-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine
CID 79398311
5-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 82847418
4-[(2-methoxyphenyl)methyl]-1,2,5-oxadiazol-3-amine
CID 112716837
2-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 115078940

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-amine (CID 62470170) is 3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-amine is COc1ccccc1Cc1noc(N)n1.
What is the InChIKey of 3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-amine?
The InChIKey is RNAZXSKZUSUDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-14-8-5-3-2-4-7(8)6-9-12-10(11)15-13-9/h2-5H,6H2,1H3,(H2,11,12,13).
What are the key properties of 3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-amine?
3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-amine has a molecular weight of 205.22 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 62470170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).