5-(2,4-diethoxyphenyl)-1,3,4-oxadiazol-2-amine

C12H15N3O3 — CID 15129059

IUPAC5-(2,4-diethoxyphenyl)-1,3,4-oxadiazol-2-amine
SMILESCCOc1ccc(-c2nnc(N)o2)c(OCC)c1
InChIInChI=1S/C12H15N3O3/c1-3-16-8-5-6-9(10(7-8)17-4-2)11-14-15-12(13)18-11/h5-7H,3-4H2,1-2H3,(H2,13,15)
InChIKeyWZJSYGFGHMYMJD-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.12
Rot. Bonds5

About 5-(2,4-diethoxyphenyl)-1,3,4-oxadiazol-2-amine

5-(2,4-diethoxyphenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 15129059) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 5-(2,4-diethoxyphenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2,4-diethoxyphenyl)-1,3,4-oxadiazol-2-amine
PubChem CID15129059
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name5-(2,4-diethoxyphenyl)-1,3,4-oxadiazol-2-amine
SMILESCCOc1ccc(-c2nnc(N)o2)c(OCC)c1
InChIInChI=1S/C12H15N3O3/c1-3-16-8-5-6-9(10(7-8)17-4-2)11-14-15-12(13)18-11/h5-7H,3-4H2,1-2H3,(H2,13,15)
InChIKeyWZJSYGFGHMYMJD-UHFFFAOYSA-N
XLogP2.12
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2,4-diethoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 7141579
2-N-(2,5-diethoxyphenyl)-1,3,4-oxadiazole-2,5-diamine
CID 103436471
4-(5-amino-1,3,4-oxadiazol-2-yl)-2-ethoxyphenol
CID 137204559
2,4-diethoxy-1-phenylbenzene
CID 132889855
5-(3-butoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 91675556
5-(2,4-diethoxyphenyl)-3-methyl-1,2-oxazole
CID 169499042
2-[2,5-diethoxy-4-[5-(4-octoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-octoxyphenyl)-1,3,4-oxadiazole
CID 101367535
2,4-diethoxybenzamide
CID 17145726
2-(2,4-diethoxyphenyl)ethynyl-trimethylsilane
CID 169083470
5-(4-dodecoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 102420099
2-(2,4-diethoxyphenyl)quinoline-4-carboxylic acid
CID 753136
2-[[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-ethoxyphenyl)ethanone
CID 7661411

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-diethoxyphenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2,4-diethoxyphenyl)-1,3,4-oxadiazol-2-amine (CID 15129059) is 5-(2,4-diethoxyphenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2,4-diethoxyphenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2,4-diethoxyphenyl)-1,3,4-oxadiazol-2-amine is CCOc1ccc(-c2nnc(N)o2)c(OCC)c1.
What is the InChIKey of 5-(2,4-diethoxyphenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is WZJSYGFGHMYMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-3-16-8-5-6-9(10(7-8)17-4-2)11-14-15-12(13)18-11/h5-7H,3-4H2,1-2H3,(H2,13,15).
What are the key properties of 5-(2,4-diethoxyphenyl)-1,3,4-oxadiazol-2-amine?
5-(2,4-diethoxyphenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 249.27 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-diethoxyphenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 15129059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).