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

C7H14N4O — CID 57463457

IUPAC5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-amine
SMILESCC(C)(C)[C@H](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)/t4-/m1/s1
InChIKeyZRXOAYDDSVNRJW-SCSAIBSYSA-N
MW170.22 g/mol
LogP0.70
Rot. Bonds1

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

5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-amine (PubChem CID 57463457) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is 5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-amine
PubChem CID57463457
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Name5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-amine
SMILESCC(C)(C)[C@H](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)/t4-/m1/s1
InChIKeyZRXOAYDDSVNRJW-SCSAIBSYSA-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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Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-amine (CID 57463457) is 5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-amine is CC(C)(C)[C@H](N)c1nnc(N)o1.
What is the InChIKey of 5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is ZRXOAYDDSVNRJW-SCSAIBSYSA-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)/t4-/m1/s1.
What are the key properties of 5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-amine?
5-[(1S)-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-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 57463457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).