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

C11H13N3O2 — CID 117312143

IUPAC[3-[3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCOCc1cccc(-c2noc(CN)n2)c1
InChIInChI=1S/C11H13N3O2/c1-15-7-8-3-2-4-9(5-8)11-13-10(6-12)16-14-11/h2-5H,6-7,12H2,1H3
InChIKeyQDNBRGCSLAZBRP-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.34
Rot. Bonds4

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

[3-[3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 117312143) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is [3-[3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-[3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID117312143
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name[3-[3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCOCc1cccc(-c2noc(CN)n2)c1
InChIInChI=1S/C11H13N3O2/c1-15-7-8-3-2-4-9(5-8)11-13-10(6-12)16-14-11/h2-5H,6-7,12H2,1H3
InChIKeyQDNBRGCSLAZBRP-UHFFFAOYSA-N
XLogP1.34
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 115112723
[3-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 43839720
[3-[3,5-dimethoxy-4-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117447663
[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117438451
5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-methoxyaniline
CID 115112713
acetamide;[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 145151193
[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 107922458
[3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 23008072
[3-(3-cyclobutyloxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117364923
[3-[3-(1,3-oxazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117357252
[3-(3-cyclobutylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117330765
1-[3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1-methylurea
CID 117370015

Frequently Asked Questions

What is the IUPAC name of [3-[3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-[3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine (CID 117312143) is [3-[3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-[3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-[3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine is COCc1cccc(-c2noc(CN)n2)c1.
What is the InChIKey of [3-[3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is QDNBRGCSLAZBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-15-7-8-3-2-4-9(5-8)11-13-10(6-12)16-14-11/h2-5H,6-7,12H2,1H3.
What are the key properties of [3-[3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine?
[3-[3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 219.24 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 117312143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).