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

C9H9N3O2 — CID 584402

IUPAC4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-amine
SMILESCOc1ccc(-c2nonc2N)cc1
InChIInChI=1S/C9H9N3O2/c1-13-7-4-2-6(3-5-7)8-9(10)12-14-11-8/h2-5H,1H3,(H2,10,12)
InChIKeyBWZLXMGKIFGJRA-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.33
Rot. Bonds2

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

4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-amine (PubChem CID 584402) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-amine
PubChem CID584402
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-amine
SMILESCOc1ccc(-c2nonc2N)cc1
InChIInChI=1S/C9H9N3O2/c1-13-7-4-2-6(3-5-7)8-9(10)12-14-11-8/h2-5H,1H3,(H2,10,12)
InChIKeyBWZLXMGKIFGJRA-UHFFFAOYSA-N
XLogP1.33
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N'-[(1E)-(4-methoxyphenyl)methylene]-1,2,5-oxadiazole-3-carbohydrazonamide
CID 5331963
3-Cyano-4-(4-methoxyphenyl)-1,2,5-oxadiazole 2-oxide
CID 25269733
3,4-Bis(4-methoxyphenyl)-1,2,5-oxadiazole
CID 11335037
3-(3-Methoxyphenyl)-4-nitro-1,2,5-oxadiazole 2-oxide
CID 3129654
N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]butanamide
CID 7660248
N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-methylpropanamide
CID 7679169
N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]propanamide
CID 7692601
4-(4-methoxyphenyl)-5-nitro-2H-1,2,3-triazole
CID 12240980
4-(4-Methoxyphenyl)-3-nitro-1,2,5-oxadiazole 2-oxide
CID 132427367
3-(Bromomethyl)-4-(4-methoxyphenyl)-1,2,5-thiadiazole 2-oxide
CID 162393172
4-[2-(Trifluoromethoxy)phenyl]-1,2,5-oxadiazol-3-amine
CID 121429670
1,2,5-Oxadiazole, 3,4-bis(4-methoxyphenyl)-, 2-oxide
CID 830693

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-amine (CID 584402) is 4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-amine is COc1ccc(-c2nonc2N)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-amine?
The InChIKey is BWZLXMGKIFGJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-13-7-4-2-6(3-5-7)8-9(10)12-14-11-8/h2-5H,1H3,(H2,10,12).
What are the key properties of 4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-amine?
4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-amine has a molecular weight of 191.19 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 584402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).