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

C9H18N4O2 — CID 107837190

IUPAC3-amino-1-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]propan-1-ol
SMILESCN(C)CCc1noc(C(O)CCN)n1
InChIInChI=1S/C9H18N4O2/c1-13(2)6-4-8-11-9(15-12-8)7(14)3-5-10/h7,14H,3-6,10H2,1-2H3
InChIKeyAVOFHDZKXUSZLY-UHFFFAOYSA-N
MW214.27 g/mol
LogP-0.44
Rot. Bonds6

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

3-amino-1-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]propan-1-ol (PubChem CID 107837190) has the molecular formula C9H18N4O2 and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-amino-1-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name3-amino-1-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]propan-1-ol
PubChem CID107837190
Molecular FormulaC9H18N4O2
Molecular Weight214.27 g/mol
Exact Mass214.14
IUPAC Name3-amino-1-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]propan-1-ol
SMILESCN(C)CCc1noc(C(O)CCN)n1
InChIInChI=1S/C9H18N4O2/c1-13(2)6-4-8-11-9(15-12-8)7(14)3-5-10/h7,14H,3-6,10H2,1-2H3
InChIKeyAVOFHDZKXUSZLY-UHFFFAOYSA-N
XLogP-0.44
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 115345334
(1S)-3-amino-1-(3-amino-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 107837041
1-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 115345285
3-amino-1-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837373
1-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 115345398
3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 115347304
(1S)-3-amino-1-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 114006948
3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 115347250
3-amino-1-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837262
3-amino-1-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837079
3-amino-1-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837058
ethyl 5-(3-amino-1-hydroxypropyl)-1,2,4-oxadiazole-3-carboxylate
CID 107837243

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]propan-1-ol?
The IUPAC name of 3-amino-1-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]propan-1-ol (CID 107837190) is 3-amino-1-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]propan-1-ol.
What is the SMILES notation for 3-amino-1-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]propan-1-ol?
The canonical SMILES for 3-amino-1-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]propan-1-ol is CN(C)CCc1noc(C(O)CCN)n1.
What is the InChIKey of 3-amino-1-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]propan-1-ol?
The InChIKey is AVOFHDZKXUSZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2/c1-13(2)6-4-8-11-9(15-12-8)7(14)3-5-10/h7,14H,3-6,10H2,1-2H3.
What are the key properties of 3-amino-1-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]propan-1-ol?
3-amino-1-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]propan-1-ol has a molecular weight of 214.27 g/mol, XLogP of -0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]propan-1-ol is sourced from PubChem (CID 107837190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).