2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,4-oxadiazole-2,5-diamine

C6H8N6O2 — CID 106413115

IUPAC2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,4-oxadiazole-2,5-diamine
SMILESNc1nnc(NCCc2ncon2)o1
InChIInChI=1S/C6H8N6O2/c7-5-10-11-6(14-5)8-2-1-4-9-3-13-12-4/h3H,1-2H2,(H2,7,10)(H,8,11)
InChIKeyBWJCHOLMKITODL-UHFFFAOYSA-N
MW196.17 g/mol
LogP-0.31
Rot. Bonds4

About 2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,4-oxadiazole-2,5-diamine

2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,4-oxadiazole-2,5-diamine (PubChem CID 106413115) has the molecular formula C6H8N6O2 and a molecular weight of 196.17 g/mol. Its IUPAC name is 2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,4-oxadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,4-oxadiazole-2,5-diamine
PubChem CID106413115
Molecular FormulaC6H8N6O2
Molecular Weight196.17 g/mol
Exact Mass196.07
IUPAC Name2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,4-oxadiazole-2,5-diamine
SMILESNc1nnc(NCCc2ncon2)o1
InChIInChI=1S/C6H8N6O2/c7-5-10-11-6(14-5)8-2-1-4-9-3-13-12-4/h3H,1-2H2,(H2,7,10)(H,8,11)
InChIKeyBWJCHOLMKITODL-UHFFFAOYSA-N
XLogP-0.31
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3-benzoxazole-2,4-diamine
CID 114183136
2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3-benzoxazole-2,6-diamine
CID 106394010
4-methyl-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,3-diamine
CID 106394129
5-(2-aminoethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106413138
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 106395589
2-chloro-1-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,4-diamine
CID 106394049
3,5-difluoro-1-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine
CID 106394020
4-methyl-1-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,3-diamine
CID 106394127
3-fluoro-1-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine
CID 106394045
4-iodo-1-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine
CID 106393935
3-bromo-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,5-diamine
CID 106394058
5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 106404263

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,4-oxadiazole-2,5-diamine?
The IUPAC name of 2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,4-oxadiazole-2,5-diamine (CID 106413115) is 2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,4-oxadiazole-2,5-diamine.
What is the SMILES notation for 2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,4-oxadiazole-2,5-diamine?
The canonical SMILES for 2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,4-oxadiazole-2,5-diamine is Nc1nnc(NCCc2ncon2)o1.
What is the InChIKey of 2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,4-oxadiazole-2,5-diamine?
The InChIKey is BWJCHOLMKITODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6O2/c7-5-10-11-6(14-5)8-2-1-4-9-3-13-12-4/h3H,1-2H2,(H2,7,10)(H,8,11).
What are the key properties of 2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,4-oxadiazole-2,5-diamine?
2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,4-oxadiazole-2,5-diamine has a molecular weight of 196.17 g/mol, XLogP of -0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,4-oxadiazole-2,5-diamine is sourced from PubChem (CID 106413115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).