1-amino-1-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]propan-2-ol

C7H14N4O2 — CID 116799569

IUPAC1-amino-1-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESCC(O)C(N)c1nc(N(C)C)no1
InChIInChI=1S/C7H14N4O2/c1-4(12)5(8)6-9-7(10-13-6)11(2)3/h4-5,12H,8H2,1-3H3
InChIKeyKQMIRSMERKDOKV-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.48
Rot. Bonds3

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

1-amino-1-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]propan-2-ol (PubChem CID 116799569) has the molecular formula C7H14N4O2 and a molecular weight of 186.21 g/mol. Its IUPAC name is 1-amino-1-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name1-amino-1-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]propan-2-ol
PubChem CID116799569
Molecular FormulaC7H14N4O2
Molecular Weight186.21 g/mol
Exact Mass186.11
IUPAC Name1-amino-1-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESCC(O)C(N)c1nc(N(C)C)no1
InChIInChI=1S/C7H14N4O2/c1-4(12)5(8)6-9-7(10-13-6)11(2)3/h4-5,12H,8H2,1-3H3
InChIKeyKQMIRSMERKDOKV-UHFFFAOYSA-N
XLogP-0.48
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1-amino-2-methylbutyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 115753218
(1S,2R)-1-amino-1-(3-amino-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 104965505
(1S)-2-amino-1-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]ethanol
CID 107837369
5-[(1S)-1-aminopropyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 103822508
N,N-dimethyl-5-[1-(methylamino)ethyl]-1,2,4-oxadiazol-3-amine
CID 116799690
1-amino-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 116806822
(1S,2R)-1-amino-1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 104965498
(1S,2R)-1-amino-1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 104965493
1-amino-1-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 63218930
ethyl 5-(1-amino-2-hydroxypropyl)-1,2,4-oxadiazole-3-carboxylate
CID 112631682
(1S,2R)-1-amino-1-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 104965588
1-amino-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 43807265

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The IUPAC name of 1-amino-1-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]propan-2-ol (CID 116799569) is 1-amino-1-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]propan-2-ol.
What is the SMILES notation for 1-amino-1-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The canonical SMILES for 1-amino-1-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]propan-2-ol is CC(O)C(N)c1nc(N(C)C)no1.
What is the InChIKey of 1-amino-1-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The InChIKey is KQMIRSMERKDOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O2/c1-4(12)5(8)6-9-7(10-13-6)11(2)3/h4-5,12H,8H2,1-3H3.
What are the key properties of 1-amino-1-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]propan-2-ol?
1-amino-1-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]propan-2-ol has a molecular weight of 186.21 g/mol, XLogP of -0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]propan-2-ol is sourced from PubChem (CID 116799569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).