5-[(1S)-1-aminopropyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine

C7H14N4O — CID 103822508

IUPAC5-[(1S)-1-aminopropyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCC[C@H](N)c1nc(N(C)C)no1
InChIInChI=1S/C7H14N4O/c1-4-5(8)6-9-7(10-12-6)11(2)3/h5H,4,8H2,1-3H3/t5-/m0/s1
InChIKeyYLVFIOOAFUMQCC-YFKPBYRVSA-N
MW170.22 g/mol
LogP0.55
Rot. Bonds3

About 5-[(1S)-1-aminopropyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine

5-[(1S)-1-aminopropyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine (PubChem CID 103822508) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is 5-[(1S)-1-aminopropyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-[(1S)-1-aminopropyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
PubChem CID103822508
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Name5-[(1S)-1-aminopropyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCC[C@H](N)c1nc(N(C)C)no1
InChIInChI=1S/C7H14N4O/c1-4-5(8)6-9-7(10-12-6)11(2)3/h5H,4,8H2,1-3H3/t5-/m0/s1
InChIKeyYLVFIOOAFUMQCC-YFKPBYRVSA-N
XLogP0.55
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-aminopropyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-[(1S)-1-aminopropyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine (CID 103822508) is 5-[(1S)-1-aminopropyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-[(1S)-1-aminopropyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-[(1S)-1-aminopropyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine is CC[C@H](N)c1nc(N(C)C)no1.
What is the InChIKey of 5-[(1S)-1-aminopropyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The InChIKey is YLVFIOOAFUMQCC-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H14N4O/c1-4-5(8)6-9-7(10-12-6)11(2)3/h5H,4,8H2,1-3H3/t5-/m0/s1.
What are the key properties of 5-[(1S)-1-aminopropyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
5-[(1S)-1-aminopropyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine has a molecular weight of 170.22 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-aminopropyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 103822508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).