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

C9H18N4O — CID 103437016

IUPAC2-N-(3-ethylpentan-2-yl)-1,3,4-oxadiazole-2,5-diamine
SMILESCCC(CC)C(C)Nc1nnc(N)o1
InChIInChI=1S/C9H18N4O/c1-4-7(5-2)6(3)11-9-13-12-8(10)14-9/h6-7H,4-5H2,1-3H3,(H2,10,12)(H,11,13)
InChIKeySMTBHJQHDVORBQ-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.89
Rot. Bonds5

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

2-N-(3-ethylpentan-2-yl)-1,3,4-oxadiazole-2,5-diamine (PubChem CID 103437016) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-N-(3-ethylpentan-2-yl)-1,3,4-oxadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(3-ethylpentan-2-yl)-1,3,4-oxadiazole-2,5-diamine
PubChem CID103437016
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name2-N-(3-ethylpentan-2-yl)-1,3,4-oxadiazole-2,5-diamine
SMILESCCC(CC)C(C)Nc1nnc(N)o1
InChIInChI=1S/C9H18N4O/c1-4-7(5-2)6(3)11-9-13-12-8(10)14-9/h6-7H,4-5H2,1-3H3,(H2,10,12)(H,11,13)
InChIKeySMTBHJQHDVORBQ-UHFFFAOYSA-N
XLogP1.89
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3-ethylpentan-2-yl)-1,3,4-oxadiazole-2,5-diamine?
The IUPAC name of 2-N-(3-ethylpentan-2-yl)-1,3,4-oxadiazole-2,5-diamine (CID 103437016) is 2-N-(3-ethylpentan-2-yl)-1,3,4-oxadiazole-2,5-diamine.
What is the SMILES notation for 2-N-(3-ethylpentan-2-yl)-1,3,4-oxadiazole-2,5-diamine?
The canonical SMILES for 2-N-(3-ethylpentan-2-yl)-1,3,4-oxadiazole-2,5-diamine is CCC(CC)C(C)Nc1nnc(N)o1.
What is the InChIKey of 2-N-(3-ethylpentan-2-yl)-1,3,4-oxadiazole-2,5-diamine?
The InChIKey is SMTBHJQHDVORBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-4-7(5-2)6(3)11-9-13-12-8(10)14-9/h6-7H,4-5H2,1-3H3,(H2,10,12)(H,11,13).
What are the key properties of 2-N-(3-ethylpentan-2-yl)-1,3,4-oxadiazole-2,5-diamine?
2-N-(3-ethylpentan-2-yl)-1,3,4-oxadiazole-2,5-diamine has a molecular weight of 198.27 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-ethylpentan-2-yl)-1,3,4-oxadiazole-2,5-diamine is sourced from PubChem (CID 103437016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).