N-(3,4-dimethoxyphenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine

C13H18N4O3 — CID 106966611

IUPACN-(3,4-dimethoxyphenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCCNCc1nnc(Nc2ccc(OC)c(OC)c2)o1
InChIInChI=1S/C13H18N4O3/c1-4-14-8-12-16-17-13(20-12)15-9-5-6-10(18-2)11(7-9)19-3/h5-7,14H,4,8H2,1-3H3,(H,15,17)
InChIKeyFWEFTRQYIYTREH-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.94
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine

N-(3,4-dimethoxyphenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106966611) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106966611
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC NameN-(3,4-dimethoxyphenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCCNCc1nnc(Nc2ccc(OC)c(OC)c2)o1
InChIInChI=1S/C13H18N4O3/c1-4-14-8-12-16-17-13(20-12)15-9-5-6-10(18-2)11(7-9)19-3/h5-7,14H,4,8H2,1-3H3,(H,15,17)
InChIKeyFWEFTRQYIYTREH-UHFFFAOYSA-N
XLogP1.94
TPSA81.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106966341
5-(ethylaminomethyl)-N-[3-(methoxymethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 106971403
N-(1-benzothiophen-5-yl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106961822
N-(3,4-dimethylphenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106967269
N-(3,5-dichloro-4-fluorophenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 107581548
N-(2,5-dimethoxyphenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106966664
N-(5-bromo-2-methoxyphenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106960031
N-(3,4-difluorophenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106967871
N-(3,4-dimethylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106967271
N-(3-bromo-4-methylphenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106961468
5-(ethylaminomethyl)-N-(4-fluoro-2-iodophenyl)-1,3,4-oxadiazol-2-amine
CID 106962829
N-(4-ethylphenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968230

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(3,4-dimethoxyphenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine (CID 106966611) is N-(3,4-dimethoxyphenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine is CCNCc1nnc(Nc2ccc(OC)c(OC)c2)o1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is FWEFTRQYIYTREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-4-14-8-12-16-17-13(20-12)15-9-5-6-10(18-2)11(7-9)19-3/h5-7,14H,4,8H2,1-3H3,(H,15,17).
What are the key properties of N-(3,4-dimethoxyphenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine?
N-(3,4-dimethoxyphenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 278.31 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106966611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).