1-(2,3-dimethoxyphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine

C12H15N3O3 — CID 114182988

IUPAC1-(2,3-dimethoxyphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
SMILESCOc1cccc(CNCc2ncon2)c1OC
InChIInChI=1S/C12H15N3O3/c1-16-10-5-3-4-9(12(10)17-2)6-13-7-11-14-8-18-15-11/h3-5,8,13H,6-7H2,1-2H3
InChIKeyWLFIJHLKTJPIRZ-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.38
Rot. Bonds6

About 1-(2,3-dimethoxyphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine

1-(2,3-dimethoxyphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine (PubChem CID 114182988) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-(2,3-dimethoxyphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2,3-dimethoxyphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
PubChem CID114182988
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name1-(2,3-dimethoxyphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
SMILESCOc1cccc(CNCc2ncon2)c1OC
InChIInChI=1S/C12H15N3O3/c1-16-10-5-3-4-9(12(10)17-2)6-13-7-11-14-8-18-15-11/h3-5,8,13H,6-7H2,1-2H3
InChIKeyWLFIJHLKTJPIRZ-UHFFFAOYSA-N
XLogP1.38
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-methoxy-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63057278
1-(2-ethoxyphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106392785
1-(2,3-dimethoxyphenyl)-N-(1,3-oxazol-4-ylmethyl)methanamine
CID 119125663
1-(2,3-dimethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
CID 60761596
N-[(2,3-dimethoxyphenyl)methyl]-1-phenylmethanamine
CID 769797
1-(2,3-dimethoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 106415154
1-(2-bromophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106393956
N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine
CID 4717511
1-(2,3-dimethoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 19625007
1-(2,3-dimethoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63305768
1-(2-methoxy-5-nitrophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106399397
N-[(2-chlorophenyl)methyl]-1-(2,3-dimethoxyphenyl)methanamine;hydrochloride
CID 17292043

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxyphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine?
The IUPAC name of 1-(2,3-dimethoxyphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine (CID 114182988) is 1-(2,3-dimethoxyphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(2,3-dimethoxyphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine?
The canonical SMILES for 1-(2,3-dimethoxyphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine is COc1cccc(CNCc2ncon2)c1OC.
What is the InChIKey of 1-(2,3-dimethoxyphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine?
The InChIKey is WLFIJHLKTJPIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-16-10-5-3-4-9(12(10)17-2)6-13-7-11-14-8-18-15-11/h3-5,8,13H,6-7H2,1-2H3.
What are the key properties of 1-(2,3-dimethoxyphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine?
1-(2,3-dimethoxyphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine has a molecular weight of 249.27 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethoxyphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine is sourced from PubChem (CID 114182988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).