5-(1-amino-2,2-dimethylpropyl)-1,3,4-oxadiazol-2-amine

C7H14N4O — CID 72683379

IUPAC5-(1-amino-2,2-dimethylpropyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)(C)C(N)c1nnc(N)o1
InChIInChI=1S/C7H14N4O/c1-7(2,3)4(8)5-10-11-6(9)12-5/h4H,8H2,1-3H3,(H2,9,11)
InChIKeyZRXOAYDDSVNRJW-UHFFFAOYSA-N
MW170.22 g/mol
LogP0.70
Rot. Bonds1

About 5-(1-amino-2,2-dimethylpropyl)-1,3,4-oxadiazol-2-amine

5-(1-amino-2,2-dimethylpropyl)-1,3,4-oxadiazol-2-amine (PubChem CID 72683379) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is 5-(1-amino-2,2-dimethylpropyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(1-amino-2,2-dimethylpropyl)-1,3,4-oxadiazol-2-amine
PubChem CID72683379
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Name5-(1-amino-2,2-dimethylpropyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)(C)C(N)c1nnc(N)o1
InChIInChI=1S/C7H14N4O/c1-7(2,3)4(8)5-10-11-6(9)12-5/h4H,8H2,1-3H3,(H2,9,11)
InChIKeyZRXOAYDDSVNRJW-UHFFFAOYSA-N
XLogP0.70
TPSA90.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,2-Dimethylpropyl)-1,3,4-oxadiazol-2-amine
CID 20118180
5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-amine
CID 57463457
5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-amine hydrochloride
CID 57463458
[5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]urea
CID 58124290
5-((S)-1-amino-2,2-dimethylpropyl)-[1,3,4]oxadiazol-2-ylamine dihydrochloride
CID 60209139
1-{5-[(1S)-1-Amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl}urea hydrochloride
CID 66952065
5-[(1S)-1-amino-2-methylbutyl]-1,3,4-oxadiazol-2-amine
CID 68737971
2,2-Dimethyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-amine
CID 68918451
[5-(1-Amino-2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]urea
CID 70969177
5-(1-Amino-2-methylbutyl)-1,3,4-oxadiazol-2-amine
CID 77546977
5-(1-Amino-2-methylpropyl)-1,3,4-oxadiazol-2-amine
CID 84650380
5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-amine
CID 84650381

Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-2,2-dimethylpropyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(1-amino-2,2-dimethylpropyl)-1,3,4-oxadiazol-2-amine (CID 72683379) is 5-(1-amino-2,2-dimethylpropyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(1-amino-2,2-dimethylpropyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(1-amino-2,2-dimethylpropyl)-1,3,4-oxadiazol-2-amine is CC(C)(C)C(N)c1nnc(N)o1.
What is the InChIKey of 5-(1-amino-2,2-dimethylpropyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is ZRXOAYDDSVNRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O/c1-7(2,3)4(8)5-10-11-6(9)12-5/h4H,8H2,1-3H3,(H2,9,11).
What are the key properties of 5-(1-amino-2,2-dimethylpropyl)-1,3,4-oxadiazol-2-amine?
5-(1-amino-2,2-dimethylpropyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 170.22 g/mol, XLogP of 0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-2,2-dimethylpropyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 72683379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).