(2,5-dimethoxyphenyl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine

C13H17N3O3 — CID 43559426

IUPAC(2,5-dimethoxyphenyl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine
SMILESCCc1nc(C(N)c2cc(OC)ccc2OC)no1
InChIInChI=1S/C13H17N3O3/c1-4-11-15-13(16-19-11)12(14)9-7-8(17-2)5-6-10(9)18-3/h5-7,12H,4,14H2,1-3H3
InChIKeyFXDVXASZPDAXGY-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.70
Rot. Bonds5

About (2,5-dimethoxyphenyl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine

(2,5-dimethoxyphenyl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine (PubChem CID 43559426) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine
PubChem CID43559426
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name(2,5-dimethoxyphenyl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine
SMILESCCc1nc(C(N)c2cc(OC)ccc2OC)no1
InChIInChI=1S/C13H17N3O3/c1-4-11-15-13(16-19-11)12(14)9-7-8(17-2)5-6-10(9)18-3/h5-7,12H,4,14H2,1-3H3
InChIKeyFXDVXASZPDAXGY-UHFFFAOYSA-N
XLogP1.70
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5-ethyl-1,2,4-oxadiazol-3-yl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 65101203
(2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine
CID 43197203
(5-ethyl-1,2,4-oxadiazol-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine
CID 43559371
(2,5-dimethoxyphenyl)-(2H-tetrazol-5-yl)methanamine
CID 61149610
(2,5-dimethoxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanamine
CID 105145725
(2-chloro-3,4-dimethoxyphenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine
CID 63632238
(2,5-dimethoxyphenyl)-(4-iodophenyl)methanamine
CID 43124868
(2,5-dimethoxyphenyl)-(2-ethoxyphenyl)methanamine
CID 43197204
(5-fluoro-2-methoxyphenyl)-(4-methoxyphenyl)methanamine
CID 43122364
(3-bromo-4-fluorophenyl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine
CID 43559376
(5-bromo-2-methoxyphenyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 43559979
1-(2,5-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 86262898

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine?
The IUPAC name of (2,5-dimethoxyphenyl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine (CID 43559426) is (2,5-dimethoxyphenyl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine.
What is the SMILES notation for (2,5-dimethoxyphenyl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine?
The canonical SMILES for (2,5-dimethoxyphenyl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine is CCc1nc(C(N)c2cc(OC)ccc2OC)no1.
What is the InChIKey of (2,5-dimethoxyphenyl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine?
The InChIKey is FXDVXASZPDAXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-4-11-15-13(16-19-11)12(14)9-7-8(17-2)5-6-10(9)18-3/h5-7,12H,4,14H2,1-3H3.
What are the key properties of (2,5-dimethoxyphenyl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine?
(2,5-dimethoxyphenyl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine has a molecular weight of 263.30 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine is sourced from PubChem (CID 43559426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).