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

C11H13N3O3 — CID 103399678

IUPAC3-(3,5-dimethoxyphenyl)-N-methyl-1,2,4-oxadiazol-5-amine
SMILESCNc1nc(-c2cc(OC)cc(OC)c2)no1
InChIInChI=1S/C11H13N3O3/c1-12-11-13-10(14-17-11)7-4-8(15-2)6-9(5-7)16-3/h4-6H,1-3H3,(H,12,13,14)
InChIKeyGWRWNDFZXBJXHT-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.80
Rot. Bonds4

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

3-(3,5-dimethoxyphenyl)-N-methyl-1,2,4-oxadiazol-5-amine (PubChem CID 103399678) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-N-methyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)-N-methyl-1,2,4-oxadiazol-5-amine
PubChem CID103399678
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name3-(3,5-dimethoxyphenyl)-N-methyl-1,2,4-oxadiazol-5-amine
SMILESCNc1nc(-c2cc(OC)cc(OC)c2)no1
InChIInChI=1S/C11H13N3O3/c1-12-11-13-10(14-17-11)7-4-8(15-2)6-9(5-7)16-3/h4-6H,1-3H3,(H,12,13,14)
InChIKeyGWRWNDFZXBJXHT-UHFFFAOYSA-N
XLogP1.80
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,5-difluorophenyl)-N-methyl-1,2,4-oxadiazol-5-amine
CID 62595025
(1R)-1-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 103399515
4-[5-(methylamino)-1,2,4-oxadiazol-3-yl]phenol
CID 136889344
3-(3,4-difluorophenyl)-N-methyl-1,2,4-oxadiazol-5-amine
CID 62594651
3-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 82358645
3-[5-(methylamino)-1,2,4-oxadiazol-3-yl]phenol
CID 107921953
1-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 103399766
N-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 71686712
N-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 46342231
(1S)-1-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 103399514
5-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 103399467
N-[[4-(3,4-difluorophenoxy)-2-(trifluoromethyl)phenyl]methyl]-3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 166378813

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)-N-methyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(3,5-dimethoxyphenyl)-N-methyl-1,2,4-oxadiazol-5-amine (CID 103399678) is 3-(3,5-dimethoxyphenyl)-N-methyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-N-methyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)-N-methyl-1,2,4-oxadiazol-5-amine is CNc1nc(-c2cc(OC)cc(OC)c2)no1.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)-N-methyl-1,2,4-oxadiazol-5-amine?
The InChIKey is GWRWNDFZXBJXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-12-11-13-10(14-17-11)7-4-8(15-2)6-9(5-7)16-3/h4-6H,1-3H3,(H,12,13,14).
What are the key properties of 3-(3,5-dimethoxyphenyl)-N-methyl-1,2,4-oxadiazol-5-amine?
3-(3,5-dimethoxyphenyl)-N-methyl-1,2,4-oxadiazol-5-amine has a molecular weight of 235.24 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenyl)-N-methyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 103399678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).