2-N-(2,5-diethoxyphenyl)-1,3,4-oxadiazole-2,5-diamine

C12H16N4O3 — CID 103436471

IUPAC2-N-(2,5-diethoxyphenyl)-1,3,4-oxadiazole-2,5-diamine
SMILESCCOc1ccc(OCC)c(Nc2nnc(N)o2)c1
InChIInChI=1S/C12H16N4O3/c1-3-17-8-5-6-10(18-4-2)9(7-8)14-12-16-15-11(13)19-12/h5-7H,3-4H2,1-2H3,(H2,13,15)(H,14,16)
InChIKeyJBJFFPYSTCTYOR-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.19
Rot. Bonds6

About 2-N-(2,5-diethoxyphenyl)-1,3,4-oxadiazole-2,5-diamine

2-N-(2,5-diethoxyphenyl)-1,3,4-oxadiazole-2,5-diamine (PubChem CID 103436471) has the molecular formula C12H16N4O3 and a molecular weight of 264.29 g/mol. Its IUPAC name is 2-N-(2,5-diethoxyphenyl)-1,3,4-oxadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(2,5-diethoxyphenyl)-1,3,4-oxadiazole-2,5-diamine
PubChem CID103436471
Molecular FormulaC12H16N4O3
Molecular Weight264.29 g/mol
Exact Mass264.12
IUPAC Name2-N-(2,5-diethoxyphenyl)-1,3,4-oxadiazole-2,5-diamine
SMILESCCOc1ccc(OCC)c(Nc2nnc(N)o2)c1
InChIInChI=1S/C12H16N4O3/c1-3-17-8-5-6-10(18-4-2)9(7-8)14-12-16-15-11(13)19-12/h5-7H,3-4H2,1-2H3,(H2,13,15)(H,14,16)
InChIKeyJBJFFPYSTCTYOR-UHFFFAOYSA-N
XLogP2.19
TPSA95.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-(2,5-diethoxyphenyl)pyrimidine-2,5-diamine
CID 61146119
(2,5-diethoxyphenyl)hydrazine
CID 119006370
5-(2,4-diethoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 15129059
4-N-(2,5-diethoxyphenyl)-2-methylbenzene-1,4-diamine
CID 43436266
6-bromo-2-N-(2,5-diethoxyphenyl)pyrimidine-2,4-diamine
CID 116796223
2-N-(2-ethylphenyl)-1,3,4-oxadiazole-2,5-diamine
CID 103436588
N-(2,5-diethoxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 43439757
N-(2,5-dimethoxyphenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106966664
N-(2,5-diethoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
CID 64550265
5-(2,5-diethoxyanilino)-1,3-thiazole-4-carboxylic acid
CID 64631499
1-(2,5-diethoxyphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]guanidine
CID 111078945
1-(2,5-diethoxyphenyl)-2-[(2,5-dimethylfuran-3-yl)methyl]guanidine
CID 111813264

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,5-diethoxyphenyl)-1,3,4-oxadiazole-2,5-diamine?
The IUPAC name of 2-N-(2,5-diethoxyphenyl)-1,3,4-oxadiazole-2,5-diamine (CID 103436471) is 2-N-(2,5-diethoxyphenyl)-1,3,4-oxadiazole-2,5-diamine.
What is the SMILES notation for 2-N-(2,5-diethoxyphenyl)-1,3,4-oxadiazole-2,5-diamine?
The canonical SMILES for 2-N-(2,5-diethoxyphenyl)-1,3,4-oxadiazole-2,5-diamine is CCOc1ccc(OCC)c(Nc2nnc(N)o2)c1.
What is the InChIKey of 2-N-(2,5-diethoxyphenyl)-1,3,4-oxadiazole-2,5-diamine?
The InChIKey is JBJFFPYSTCTYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-3-17-8-5-6-10(18-4-2)9(7-8)14-12-16-15-11(13)19-12/h5-7H,3-4H2,1-2H3,(H2,13,15)(H,14,16).
What are the key properties of 2-N-(2,5-diethoxyphenyl)-1,3,4-oxadiazole-2,5-diamine?
2-N-(2,5-diethoxyphenyl)-1,3,4-oxadiazole-2,5-diamine has a molecular weight of 264.29 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,5-diethoxyphenyl)-1,3,4-oxadiazole-2,5-diamine is sourced from PubChem (CID 103436471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).