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

C7H14N4O2 — CID 103436741

IUPAC2-N-(1-methoxypropan-2-yl)-2-N-methyl-1,3,4-oxadiazole-2,5-diamine
SMILESCOCC(C)N(C)c1nnc(N)o1
InChIInChI=1S/C7H14N4O2/c1-5(4-12-3)11(2)7-10-9-6(8)13-7/h5H,4H2,1-3H3,(H2,8,9)
InChIKeyVCFSAVMUGARUIR-UHFFFAOYSA-N
MW186.22 g/mol
LogP0.12
Rot. Bonds4

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

2-N-(1-methoxypropan-2-yl)-2-N-methyl-1,3,4-oxadiazole-2,5-diamine (PubChem CID 103436741) has the molecular formula C7H14N4O2 and a molecular weight of 186.22 g/mol. Its IUPAC name is 2-N-(1-methoxypropan-2-yl)-2-N-methyl-1,3,4-oxadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(1-methoxypropan-2-yl)-2-N-methyl-1,3,4-oxadiazole-2,5-diamine
PubChem CID103436741
Molecular FormulaC7H14N4O2
Molecular Weight186.22 g/mol
Exact Mass186.11
IUPAC Name2-N-(1-methoxypropan-2-yl)-2-N-methyl-1,3,4-oxadiazole-2,5-diamine
SMILESCOCC(C)N(C)c1nnc(N)o1
InChIInChI=1S/C7H14N4O2/c1-5(4-12-3)11(2)7-10-9-6(8)13-7/h5H,4H2,1-3H3,(H2,8,9)
InChIKeyVCFSAVMUGARUIR-UHFFFAOYSA-N
XLogP0.12
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1-methoxypropan-2-yl)-2-N-methyl-1,3,4-oxadiazole-2,5-diamine?
The IUPAC name of 2-N-(1-methoxypropan-2-yl)-2-N-methyl-1,3,4-oxadiazole-2,5-diamine (CID 103436741) is 2-N-(1-methoxypropan-2-yl)-2-N-methyl-1,3,4-oxadiazole-2,5-diamine.
What is the SMILES notation for 2-N-(1-methoxypropan-2-yl)-2-N-methyl-1,3,4-oxadiazole-2,5-diamine?
The canonical SMILES for 2-N-(1-methoxypropan-2-yl)-2-N-methyl-1,3,4-oxadiazole-2,5-diamine is COCC(C)N(C)c1nnc(N)o1.
What is the InChIKey of 2-N-(1-methoxypropan-2-yl)-2-N-methyl-1,3,4-oxadiazole-2,5-diamine?
The InChIKey is VCFSAVMUGARUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O2/c1-5(4-12-3)11(2)7-10-9-6(8)13-7/h5H,4H2,1-3H3,(H2,8,9).
What are the key properties of 2-N-(1-methoxypropan-2-yl)-2-N-methyl-1,3,4-oxadiazole-2,5-diamine?
2-N-(1-methoxypropan-2-yl)-2-N-methyl-1,3,4-oxadiazole-2,5-diamine has a molecular weight of 186.22 g/mol, XLogP of 0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-methoxypropan-2-yl)-2-N-methyl-1,3,4-oxadiazole-2,5-diamine is sourced from PubChem (CID 103436741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).