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

C10H12N4O — CID 103436588

IUPAC2-N-(2-ethylphenyl)-1,3,4-oxadiazole-2,5-diamine
SMILESCCc1ccccc1Nc1nnc(N)o1
InChIInChI=1S/C10H12N4O/c1-2-7-5-3-4-6-8(7)12-10-14-13-9(11)15-10/h3-6H,2H2,1H3,(H2,11,13)(H,12,14)
InChIKeyHLQCDOBOAKXUOJ-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.96
Rot. Bonds3

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

2-N-(2-ethylphenyl)-1,3,4-oxadiazole-2,5-diamine (PubChem CID 103436588) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-N-(2-ethylphenyl)-1,3,4-oxadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(2-ethylphenyl)-1,3,4-oxadiazole-2,5-diamine
PubChem CID103436588
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name2-N-(2-ethylphenyl)-1,3,4-oxadiazole-2,5-diamine
SMILESCCc1ccccc1Nc1nnc(N)o1
InChIInChI=1S/C10H12N4O/c1-2-7-5-3-4-6-8(7)12-10-14-13-9(11)15-10/h3-6H,2H2,1H3,(H2,11,13)(H,12,14)
InChIKeyHLQCDOBOAKXUOJ-UHFFFAOYSA-N
XLogP1.96
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-4-N-(2-ethylphenyl)pyrimidine-4,6-diamine
CID 80761572
4-N-(2-ethylphenyl)-1H-pyrazole-4,5-diamine
CID 82236252
3-N-(2-ethylphenyl)pyrazine-2,3-diamine
CID 102985203
2-N-(2,5-diethoxyphenyl)-1,3,4-oxadiazole-2,5-diamine
CID 103436471
4-N-(2-ethylphenyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80761502
1-N-(2-ethylphenyl)-3-methylbenzene-1,2-diamine
CID 114041167
4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544045
2-amino-3-(2-ethylanilino)benzamide
CID 113332482
N-[4-[5-(2-ethylanilino)-1,3,4-oxadiazol-2-yl]phenyl]pyridine-3-carboxamide
CID 10833966
4-N-(2-ethylphenyl)-6-N-phenylpyrimidine-4,5,6-triamine
CID 22544115
5-amino-2-(2-ethylanilino)benzamide
CID 61306914
4-chloro-2-N-(2-ethylphenyl)benzene-1,2-diamine
CID 115468565

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-ethylphenyl)-1,3,4-oxadiazole-2,5-diamine?
The IUPAC name of 2-N-(2-ethylphenyl)-1,3,4-oxadiazole-2,5-diamine (CID 103436588) is 2-N-(2-ethylphenyl)-1,3,4-oxadiazole-2,5-diamine.
What is the SMILES notation for 2-N-(2-ethylphenyl)-1,3,4-oxadiazole-2,5-diamine?
The canonical SMILES for 2-N-(2-ethylphenyl)-1,3,4-oxadiazole-2,5-diamine is CCc1ccccc1Nc1nnc(N)o1.
What is the InChIKey of 2-N-(2-ethylphenyl)-1,3,4-oxadiazole-2,5-diamine?
The InChIKey is HLQCDOBOAKXUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-2-7-5-3-4-6-8(7)12-10-14-13-9(11)15-10/h3-6H,2H2,1H3,(H2,11,13)(H,12,14).
What are the key properties of 2-N-(2-ethylphenyl)-1,3,4-oxadiazole-2,5-diamine?
2-N-(2-ethylphenyl)-1,3,4-oxadiazole-2,5-diamine has a molecular weight of 204.23 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-ethylphenyl)-1,3,4-oxadiazole-2,5-diamine is sourced from PubChem (CID 103436588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).