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

C11H13N3O3 — CID 157019147

IUPACN-(3,5-dimethoxyphenyl)-4-methyl-1,2,5-oxadiazol-3-amine
SMILESCOc1cc(Nc2nonc2C)cc(OC)c1
InChIInChI=1S/C11H13N3O3/c1-7-11(14-17-13-7)12-8-4-9(15-2)6-10(5-8)16-3/h4-6H,1-3H3,(H,12,14)
InChIKeyALYNUKRCSYQUHG-UHFFFAOYSA-N
MW235.24 g/mol
LogP2.14
Rot. Bonds4

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

N-(3,5-dimethoxyphenyl)-4-methyl-1,2,5-oxadiazol-3-amine (PubChem CID 157019147) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-4-methyl-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-4-methyl-1,2,5-oxadiazol-3-amine
PubChem CID157019147
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC NameN-(3,5-dimethoxyphenyl)-4-methyl-1,2,5-oxadiazol-3-amine
SMILESCOc1cc(Nc2nonc2C)cc(OC)c1
InChIInChI=1S/C11H13N3O3/c1-7-11(14-17-13-7)12-8-4-9(15-2)6-10(5-8)16-3/h4-6H,1-3H3,(H,12,14)
InChIKeyALYNUKRCSYQUHG-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dimethoxyphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 52998656
N-(3,5-dimethoxyphenyl)-3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-amine
CID 69197021
3,5-dibromo-N-(3,5-dimethoxyphenyl)pyridin-2-amine
CID 113413780
5-methoxy-N-(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
CID 1385785
3-bromo-2-N-(3,5-dimethoxyphenyl)pyridine-2,5-diamine
CID 79531944
N-(3,5-dimethoxyphenyl)-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-amine
CID 157012668
N-(3,5-dimethoxyphenyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 157013293
5-bromo-2-chloro-N-(3,5-dimethoxyphenyl)pyrimidin-4-amine
CID 79075751
2-N-(3,5-dimethoxyphenyl)-3-N,3-N-dimethylquinoxaline-2,3-diamine
CID 68879668
3-N-(3,5-dimethoxyphenyl)benzene-1,3-diamine
CID 43132798
5-amino-3-(3,5-dimethoxyanilino)-1H-pyrazole-4-carbonitrile
CID 16742947
5-(3,5-dimethoxyanilino)-3-methyl-1,2-thiazole-4-carbonitrile
CID 79375201

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-4-methyl-1,2,5-oxadiazol-3-amine?
The IUPAC name of N-(3,5-dimethoxyphenyl)-4-methyl-1,2,5-oxadiazol-3-amine (CID 157019147) is N-(3,5-dimethoxyphenyl)-4-methyl-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-4-methyl-1,2,5-oxadiazol-3-amine?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-4-methyl-1,2,5-oxadiazol-3-amine is COc1cc(Nc2nonc2C)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-4-methyl-1,2,5-oxadiazol-3-amine?
The InChIKey is ALYNUKRCSYQUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-7-11(14-17-13-7)12-8-4-9(15-2)6-10(5-8)16-3/h4-6H,1-3H3,(H,12,14).
What are the key properties of N-(3,5-dimethoxyphenyl)-4-methyl-1,2,5-oxadiazol-3-amine?
N-(3,5-dimethoxyphenyl)-4-methyl-1,2,5-oxadiazol-3-amine has a molecular weight of 235.24 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-4-methyl-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 157019147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).