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

C8H14N4O2 — CID 130964813

IUPAC2-N-(3-ethyloxolan-3-yl)-1,3,4-oxadiazole-2,5-diamine
SMILESCCC1(Nc2nnc(N)o2)CCOC1
InChIInChI=1S/C8H14N4O2/c1-2-8(3-4-13-5-8)10-7-12-11-6(9)14-7/h2-5H2,1H3,(H2,9,11)(H,10,12)
InChIKeyPXHHQQVPQPCLBA-UHFFFAOYSA-N
MW198.23 g/mol
LogP0.63
Rot. Bonds3

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

2-N-(3-ethyloxolan-3-yl)-1,3,4-oxadiazole-2,5-diamine (PubChem CID 130964813) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 2-N-(3-ethyloxolan-3-yl)-1,3,4-oxadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(3-ethyloxolan-3-yl)-1,3,4-oxadiazole-2,5-diamine
PubChem CID130964813
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name2-N-(3-ethyloxolan-3-yl)-1,3,4-oxadiazole-2,5-diamine
SMILESCCC1(Nc2nnc(N)o2)CCOC1
InChIInChI=1S/C8H14N4O2/c1-2-8(3-4-13-5-8)10-7-12-11-6(9)14-7/h2-5H2,1H3,(H2,9,11)(H,10,12)
InChIKeyPXHHQQVPQPCLBA-UHFFFAOYSA-N
XLogP0.63
TPSA86.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(3-methyloxolan-3-yl)-1,3,4-oxadiazole-2,5-diamine
CID 103437296
2-N-(4-methyloxan-4-yl)-1,3,4-oxadiazole-2,5-diamine
CID 103437301
2-N-(2,3-dimethyloxolan-3-yl)-1,3,4-oxadiazole-2,5-diamine
CID 105668256
2-N-(3-methyloxan-3-yl)-1,3,4-oxadiazole-2,5-diamine
CID 105795474
2-N-[1-(methoxymethyl)cyclobutyl]-1,3,4-oxadiazole-2,5-diamine
CID 130610286
2-N-(2,2-dimethyloxolan-3-yl)-1,3,4-oxadiazole-2,5-diamine
CID 131038114

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-ethyloxolan-3-yl)-1,3,4-oxadiazole-2,5-diamine?
The IUPAC name of 2-N-(3-ethyloxolan-3-yl)-1,3,4-oxadiazole-2,5-diamine (CID 130964813) is 2-N-(3-ethyloxolan-3-yl)-1,3,4-oxadiazole-2,5-diamine.
What is the SMILES notation for 2-N-(3-ethyloxolan-3-yl)-1,3,4-oxadiazole-2,5-diamine?
The canonical SMILES for 2-N-(3-ethyloxolan-3-yl)-1,3,4-oxadiazole-2,5-diamine is CCC1(Nc2nnc(N)o2)CCOC1.
What is the InChIKey of 2-N-(3-ethyloxolan-3-yl)-1,3,4-oxadiazole-2,5-diamine?
The InChIKey is PXHHQQVPQPCLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-2-8(3-4-13-5-8)10-7-12-11-6(9)14-7/h2-5H2,1H3,(H2,9,11)(H,10,12).
What are the key properties of 2-N-(3-ethyloxolan-3-yl)-1,3,4-oxadiazole-2,5-diamine?
2-N-(3-ethyloxolan-3-yl)-1,3,4-oxadiazole-2,5-diamine has a molecular weight of 198.23 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-ethyloxolan-3-yl)-1,3,4-oxadiazole-2,5-diamine is sourced from PubChem (CID 130964813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).