(1S)-2-amino-1-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]ethanol

C6H12N4O2 — CID 107837369

IUPAC(1S)-2-amino-1-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]ethanol
SMILESCN(C)c1noc([C@@H](O)CN)n1
InChIInChI=1S/C6H12N4O2/c1-10(2)6-8-5(12-9-6)4(11)3-7/h4,11H,3,7H2,1-2H3/t4-/m0/s1
InChIKeyMLHNMFLVIZQRQZ-BYPYZUCNSA-N
MW172.19 g/mol
LogP-0.87
Rot. Bonds3

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

(1S)-2-amino-1-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 107837369) has the molecular formula C6H12N4O2 and a molecular weight of 172.19 g/mol. Its IUPAC name is (1S)-2-amino-1-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name(1S)-2-amino-1-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID107837369
Molecular FormulaC6H12N4O2
Molecular Weight172.19 g/mol
Exact Mass172.10
IUPAC Name(1S)-2-amino-1-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]ethanol
SMILESCN(C)c1noc([C@@H](O)CN)n1
InChIInChI=1S/C6H12N4O2/c1-10(2)6-8-5(12-9-6)4(11)3-7/h4,11H,3,7H2,1-2H3/t4-/m0/s1
InChIKeyMLHNMFLVIZQRQZ-BYPYZUCNSA-N
XLogP-0.87
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-amino-1-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 116799569
5-[(1S)-1-aminopropyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 103822508
2-amino-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanol
CID 66167315
3-amino-1-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837373
5-(1-amino-2-methylbutyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 115753218
5-(2-amino-1-hydroxyethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 112631895
N,N-dimethyl-5-[1-(methylamino)ethyl]-1,2,4-oxadiazol-3-amine
CID 116799690
2-amino-1-[2-(dimethylamino)pyrimidin-4-yl]ethanol
CID 83876127
2-amino-1-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 106814810
(1S)-2-amino-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 107836639
(1S)-2-amino-1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 107837305
5-(2-amino-1-hydroxyethyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791226

Frequently Asked Questions

What is the IUPAC name of (1S)-2-amino-1-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of (1S)-2-amino-1-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]ethanol (CID 107837369) is (1S)-2-amino-1-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for (1S)-2-amino-1-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for (1S)-2-amino-1-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]ethanol is CN(C)c1noc([C@@H](O)CN)n1.
What is the InChIKey of (1S)-2-amino-1-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is MLHNMFLVIZQRQZ-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H12N4O2/c1-10(2)6-8-5(12-9-6)4(11)3-7/h4,11H,3,7H2,1-2H3/t4-/m0/s1.
What are the key properties of (1S)-2-amino-1-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]ethanol?
(1S)-2-amino-1-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 172.19 g/mol, XLogP of -0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-amino-1-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 107837369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).