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

C14H17N3O2 — CID 115112723

IUPAC[3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCOCC1(c2cccc(-c3noc(CN)n3)c2)CC1
InChIInChI=1S/C14H17N3O2/c1-18-9-14(5-6-14)11-4-2-3-10(7-11)13-16-12(8-15)19-17-13/h2-4,7H,5-6,8-9,15H2,1H3
InChIKeyCAYABWWFOWEGTB-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.87
Rot. Bonds5

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

[3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 115112723) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is [3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID115112723
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name[3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCOCC1(c2cccc(-c3noc(CN)n3)c2)CC1
InChIInChI=1S/C14H17N3O2/c1-18-9-14(5-6-14)11-4-2-3-10(7-11)13-16-12(8-15)19-17-13/h2-4,7H,5-6,8-9,15H2,1H3
InChIKeyCAYABWWFOWEGTB-UHFFFAOYSA-N
XLogP1.87
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[4-[1-(methoxymethyl)cyclopropyl]phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 115112725
[3-[3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117312143
[3-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 43839720
acetamide;[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 145151193
[3-(3-cyclobutyloxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117364923
[3-(3-cyclobutylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117330765
[3-(2,2-dimethyl-3,4-dihydrochromen-7-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117401910
5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-methoxyaniline
CID 115112713
[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 107922458
[3-[3-(oxan-4-yloxy)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117440122
3-(3-chlorophenyl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride
CID 120835900
[3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117360199

Frequently Asked Questions

What is the IUPAC name of [3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]-1,2,4-oxadiazol-5-yl]methanamine (CID 115112723) is [3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]-1,2,4-oxadiazol-5-yl]methanamine is COCC1(c2cccc(-c3noc(CN)n3)c2)CC1.
What is the InChIKey of [3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is CAYABWWFOWEGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-18-9-14(5-6-14)11-4-2-3-10(7-11)13-16-12(8-15)19-17-13/h2-4,7H,5-6,8-9,15H2,1H3.
What are the key properties of [3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]-1,2,4-oxadiazol-5-yl]methanamine?
[3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 259.31 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 115112723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).