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

C7H14N4O2 — CID 103437306

IUPAC2-N-(1-methoxy-2-methylpropan-2-yl)-1,3,4-oxadiazole-2,5-diamine
SMILESCOCC(C)(C)Nc1nnc(N)o1
InChIInChI=1S/C7H14N4O2/c1-7(2,4-12-3)9-6-11-10-5(8)13-6/h4H2,1-3H3,(H2,8,10)(H,9,11)
InChIKeyGRVMYQZLSYXABR-UHFFFAOYSA-N
MW186.22 g/mol
LogP0.49
Rot. Bonds4

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

2-N-(1-methoxy-2-methylpropan-2-yl)-1,3,4-oxadiazole-2,5-diamine (PubChem CID 103437306) has the molecular formula C7H14N4O2 and a molecular weight of 186.22 g/mol. Its IUPAC name is 2-N-(1-methoxy-2-methylpropan-2-yl)-1,3,4-oxadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(1-methoxy-2-methylpropan-2-yl)-1,3,4-oxadiazole-2,5-diamine
PubChem CID103437306
Molecular FormulaC7H14N4O2
Molecular Weight186.22 g/mol
Exact Mass186.11
IUPAC Name2-N-(1-methoxy-2-methylpropan-2-yl)-1,3,4-oxadiazole-2,5-diamine
SMILESCOCC(C)(C)Nc1nnc(N)o1
InChIInChI=1S/C7H14N4O2/c1-7(2,4-12-3)9-6-11-10-5(8)13-6/h4H2,1-3H3,(H2,8,10)(H,9,11)
InChIKeyGRVMYQZLSYXABR-UHFFFAOYSA-N
XLogP0.49
TPSA86.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(1-methoxypropan-2-yl)-1,3,4-oxadiazole-2,5-diamine
CID 103436460
2-N-(1-ethoxypropan-2-yl)-1,3,4-oxadiazole-2,5-diamine
CID 103436792
2-N-(3-methyloxolan-3-yl)-1,3,4-oxadiazole-2,5-diamine
CID 103437296
2-N-tert-butyl-1,3,4-oxadiazole-2,5-diamine
CID 121601831
2-N-(2-methylbutan-2-yl)-1,3,4-oxadiazole-2,5-diamine
CID 121601984
2-N-(2-methoxyethyl)-1,3,4-oxadiazole-2,5-diamine
CID 121601985
2-N-[1-(methoxymethyl)cyclobutyl]-1,3,4-oxadiazole-2,5-diamine
CID 130610286

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-methoxy-2-methylpropan-2-yl)-1,3,4-oxadiazole-2,5-diamine?
The IUPAC name of 2-N-(1-methoxy-2-methylpropan-2-yl)-1,3,4-oxadiazole-2,5-diamine (CID 103437306) is 2-N-(1-methoxy-2-methylpropan-2-yl)-1,3,4-oxadiazole-2,5-diamine.
What is the SMILES notation for 2-N-(1-methoxy-2-methylpropan-2-yl)-1,3,4-oxadiazole-2,5-diamine?
The canonical SMILES for 2-N-(1-methoxy-2-methylpropan-2-yl)-1,3,4-oxadiazole-2,5-diamine is COCC(C)(C)Nc1nnc(N)o1.
What is the InChIKey of 2-N-(1-methoxy-2-methylpropan-2-yl)-1,3,4-oxadiazole-2,5-diamine?
The InChIKey is GRVMYQZLSYXABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O2/c1-7(2,4-12-3)9-6-11-10-5(8)13-6/h4H2,1-3H3,(H2,8,10)(H,9,11).
What are the key properties of 2-N-(1-methoxy-2-methylpropan-2-yl)-1,3,4-oxadiazole-2,5-diamine?
2-N-(1-methoxy-2-methylpropan-2-yl)-1,3,4-oxadiazole-2,5-diamine has a molecular weight of 186.22 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-methoxy-2-methylpropan-2-yl)-1,3,4-oxadiazole-2,5-diamine is sourced from PubChem (CID 103437306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).