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

C10H19N3O3 — CID 104965588

IUPAC(1S,2R)-1-amino-1-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESCCCC(OC)c1noc([C@@H](N)[C@@H](C)O)n1
InChIInChI=1S/C10H19N3O3/c1-4-5-7(15-3)9-12-10(16-13-9)8(11)6(2)14/h6-8,14H,4-5,11H2,1-3H3/t6-,7?,8+/m1/s1
InChIKeyPFAKNXKOAMQOKC-QUFPSDLASA-N
MW229.28 g/mol
LogP0.94
Rot. Bonds6

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

(1S,2R)-1-amino-1-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]propan-2-ol (PubChem CID 104965588) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
PubChem CID104965588
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name(1S,2R)-1-amino-1-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESCCCC(OC)c1noc([C@@H](N)[C@@H](C)O)n1
InChIInChI=1S/C10H19N3O3/c1-4-5-7(15-3)9-12-10(16-13-9)8(11)6(2)14/h6-8,14H,4-5,11H2,1-3H3/t6-,7?,8+/m1/s1
InChIKeyPFAKNXKOAMQOKC-QUFPSDLASA-N
XLogP0.94
TPSA94.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (1S,2R)-1-amino-1-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]propan-2-ol with MolForge

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Related Compounds

1-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 116701835
(1S,2S)-1-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900344
3-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 116733247
3-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 116733235
1-amino-1-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 116743520
(1S)-1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900222
(1S,2S)-1-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900343
(1S)-1-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565568
(1S,2R)-1-amino-1-(3-amino-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 104965505
5-[1-(azetidin-3-yl)ethyl]-3-(1-methoxypropyl)-1,2,4-oxadiazole
CID 116701872
4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136983312
6-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine
CID 116702190

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The IUPAC name of (1S,2R)-1-amino-1-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]propan-2-ol (CID 104965588) is (1S,2R)-1-amino-1-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]propan-2-ol.
What is the SMILES notation for (1S,2R)-1-amino-1-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The canonical SMILES for (1S,2R)-1-amino-1-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]propan-2-ol is CCCC(OC)c1noc([C@@H](N)[C@@H](C)O)n1.
What is the InChIKey of (1S,2R)-1-amino-1-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The InChIKey is PFAKNXKOAMQOKC-QUFPSDLASA-N. The full InChI is InChI=1S/C10H19N3O3/c1-4-5-7(15-3)9-12-10(16-13-9)8(11)6(2)14/h6-8,14H,4-5,11H2,1-3H3/t6-,7?,8+/m1/s1.
What are the key properties of (1S,2R)-1-amino-1-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
(1S,2R)-1-amino-1-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]propan-2-ol has a molecular weight of 229.28 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-1-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]propan-2-ol is sourced from PubChem (CID 104965588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).