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

C10H11N3O2 — CID 112716837

IUPAC4-[(2-methoxyphenyl)methyl]-1,2,5-oxadiazol-3-amine
SMILESCOc1ccccc1Cc1nonc1N
InChIInChI=1S/C10H11N3O2/c1-14-9-5-3-2-4-7(9)6-8-10(11)13-15-12-8/h2-5H,6H2,1H3,(H2,11,13)
InChIKeyXNWQJDSUVMUGCB-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.25
Rot. Bonds3

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

4-[(2-methoxyphenyl)methyl]-1,2,5-oxadiazol-3-amine (PubChem CID 112716837) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)methyl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)methyl]-1,2,5-oxadiazol-3-amine
PubChem CID112716837
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name4-[(2-methoxyphenyl)methyl]-1,2,5-oxadiazol-3-amine
SMILESCOc1ccccc1Cc1nonc1N
InChIInChI=1S/C10H11N3O2/c1-14-9-5-3-2-4-7(9)6-8-10(11)13-15-12-8/h2-5H,6H2,1H3,(H2,11,13)
InChIKeyXNWQJDSUVMUGCB-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

4-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
CID 62808037
3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-amine
CID 62470170
3-[(2-methoxyphenyl)methyl]-1,2-oxazole
CID 174471268
1-bromo-2-[(2-methoxyphenyl)methyl]benzene
CID 165410095
3-methoxy-2-[(2-methoxyphenyl)methyl]aniline
CID 13379479
4-bromo-6-[(2-methoxyphenyl)methyl]pyridazin-3-amine
CID 117106715
6-[(2-methoxyphenyl)methyl]pyridin-2-amine
CID 96614912
8-methoxy-3-[(2-methoxyphenyl)methyl]quinolin-2-amine
CID 68554779
3-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 146380303
5-[(2-methoxyphenyl)methyl]-3-methyl-1,2,4-oxadiazole
CID 54077737
2-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]aniline
CID 61261410
2-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 61334308

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenyl)methyl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[(2-methoxyphenyl)methyl]-1,2,5-oxadiazol-3-amine (CID 112716837) is 4-[(2-methoxyphenyl)methyl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[(2-methoxyphenyl)methyl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[(2-methoxyphenyl)methyl]-1,2,5-oxadiazol-3-amine is COc1ccccc1Cc1nonc1N.
What is the InChIKey of 4-[(2-methoxyphenyl)methyl]-1,2,5-oxadiazol-3-amine?
The InChIKey is XNWQJDSUVMUGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-14-9-5-3-2-4-7(9)6-8-10(11)13-15-12-8/h2-5H,6H2,1H3,(H2,11,13).
What are the key properties of 4-[(2-methoxyphenyl)methyl]-1,2,5-oxadiazol-3-amine?
4-[(2-methoxyphenyl)methyl]-1,2,5-oxadiazol-3-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 4-[(2-methoxyphenyl)methyl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 112716837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).