(1S)-1-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]ethanamine

C7H14N4O — CID 82668342

IUPAC(1S)-1-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]ethanamine
SMILESC[C@H](N)c1nnc(CN(C)C)o1
InChIInChI=1S/C7H14N4O/c1-5(8)7-10-9-6(12-7)4-11(2)3/h5H,4,8H2,1-3H3/t5-/m0/s1
InChIKeySRBZHMWAUFMXAV-YFKPBYRVSA-N
MW170.22 g/mol
LogP0.15
Rot. Bonds3

About (1S)-1-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]ethanamine

(1S)-1-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 82668342) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is (1S)-1-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID82668342
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Name(1S)-1-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]ethanamine
SMILESC[C@H](N)c1nnc(CN(C)C)o1
InChIInChI=1S/C7H14N4O/c1-5(8)7-10-9-6(12-7)4-11(2)3/h5H,4,8H2,1-3H3/t5-/m0/s1
InChIKeySRBZHMWAUFMXAV-YFKPBYRVSA-N
XLogP0.15
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 ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of (1S)-1-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]ethanamine (CID 82668342) is (1S)-1-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for (1S)-1-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for (1S)-1-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]ethanamine is C[C@H](N)c1nnc(CN(C)C)o1.
What is the InChIKey of (1S)-1-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is SRBZHMWAUFMXAV-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H14N4O/c1-5(8)7-10-9-6(12-7)4-11(2)3/h5H,4,8H2,1-3H3/t5-/m0/s1.
What are the key properties of (1S)-1-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]ethanamine?
(1S)-1-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 170.22 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 82668342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).