(1S)-1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine

C12H23N3O2 — CID 107565578

IUPAC(1S)-1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCCC[C@H](N)c1nc(C(OC)C(C)(C)C)no1
InChIInChI=1S/C12H23N3O2/c1-6-7-8(13)11-14-10(15-17-11)9(16-5)12(2,3)4/h8-9H,6-7,13H2,1-5H3/t8-,9?/m0/s1
InChIKeyFFUZNQZWGNOGEI-IENPIDJESA-N
MW241.33 g/mol
LogP2.60
Rot. Bonds5

About (1S)-1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine

(1S)-1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine (PubChem CID 107565578) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is (1S)-1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine.

Molecular Properties

Compound Name(1S)-1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
PubChem CID107565578
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name(1S)-1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCCC[C@H](N)c1nc(C(OC)C(C)(C)C)no1
InChIInChI=1S/C12H23N3O2/c1-6-7-8(13)11-14-10(15-17-11)9(16-5)12(2,3)4/h8-9H,6-7,13H2,1-5H3/t8-,9?/m0/s1
InChIKeyFFUZNQZWGNOGEI-IENPIDJESA-N
XLogP2.60
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S)-1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine with MolForge

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Related Compounds

(1R)-1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 104909630
1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43630134
(1S)-1-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565568
1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-amine
CID 116704120
(1R)-1-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565588
[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine
CID 116704110
(1R)-1-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565561
1-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43670386
1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4,4-dimethylpentan-2-amine
CID 116703950
3-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 116704096
1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 43470394
1-cyclopropyl-2-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 116704058

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The IUPAC name of (1S)-1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine (CID 107565578) is (1S)-1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine.
What is the SMILES notation for (1S)-1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The canonical SMILES for (1S)-1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine is CCC[C@H](N)c1nc(C(OC)C(C)(C)C)no1.
What is the InChIKey of (1S)-1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The InChIKey is FFUZNQZWGNOGEI-IENPIDJESA-N. The full InChI is InChI=1S/C12H23N3O2/c1-6-7-8(13)11-14-10(15-17-11)9(16-5)12(2,3)4/h8-9H,6-7,13H2,1-5H3/t8-,9?/m0/s1.
What are the key properties of (1S)-1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
(1S)-1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine has a molecular weight of 241.33 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine is sourced from PubChem (CID 107565578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).