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

C12H11N5O3 — CID 62808037

IUPAC4-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
SMILESCOc1ccccc1Cc1noc(-c2nonc2N)n1
InChIInChI=1S/C12H11N5O3/c1-18-8-5-3-2-4-7(8)6-9-14-12(19-15-9)10-11(13)17-20-16-10/h2-5H,6H2,1H3,(H2,13,17)
InChIKeyGAZOVDASQGFCDX-UHFFFAOYSA-N
MW273.25 g/mol
LogP1.30
Rot. Bonds4

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

4-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 62808037) has the molecular formula C12H11N5O3 and a molecular weight of 273.25 g/mol. Its IUPAC name is 4-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
PubChem CID62808037
Molecular FormulaC12H11N5O3
Molecular Weight273.25 g/mol
Exact Mass273.09
IUPAC Name4-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
SMILESCOc1ccccc1Cc1noc(-c2nonc2N)n1
InChIInChI=1S/C12H11N5O3/c1-18-8-5-3-2-4-7(8)6-9-14-12(19-15-9)10-11(13)17-20-16-10/h2-5H,6H2,1H3,(H2,13,17)
InChIKeyGAZOVDASQGFCDX-UHFFFAOYSA-N
XLogP1.30
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine with MolForge

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Related Compounds

2-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]aniline
CID 61261410
3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-amine
CID 62470170
4-(3-benzyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine
CID 62808217
5-(2-chlorophenyl)-3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole
CID 874813
4-[(2-methoxyphenyl)methyl]-1,2,5-oxadiazol-3-amine
CID 112716837
4-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine
CID 79398311
1-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
CID 63350383
4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
CID 62808401
(1S)-1-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 104899370
5-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
CID 136908018
5-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 82847418
4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine
CID 62806086

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine (CID 62808037) is 4-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine is COc1ccccc1Cc1noc(-c2nonc2N)n1.
What is the InChIKey of 4-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is GAZOVDASQGFCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O3/c1-18-8-5-3-2-4-7(8)6-9-14-12(19-15-9)10-11(13)17-20-16-10/h2-5H,6H2,1H3,(H2,13,17).
What are the key properties of 4-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine?
4-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 273.25 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 62808037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).