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

C12H23N3O2 — CID 99719035

IUPAC(2S)-1-methoxy-N-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]butan-2-amine
SMILESCC[C@@H](COC)N[C@H](c1nc(C)no1)C(C)C
InChIInChI=1S/C12H23N3O2/c1-6-10(7-16-5)14-11(8(2)3)12-13-9(4)15-17-12/h8,10-11,14H,6-7H2,1-5H3/t10-,11-/m0/s1
InChIKeyZYKBHYVKGYWELB-QWRGUYRKSA-N
MW241.33 g/mol
LogP2.09
Rot. Bonds7

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

(2S)-1-methoxy-N-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]butan-2-amine (PubChem CID 99719035) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is (2S)-1-methoxy-N-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]butan-2-amine.

Molecular Properties

Compound Name(2S)-1-methoxy-N-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]butan-2-amine
PubChem CID99719035
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name(2S)-1-methoxy-N-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]butan-2-amine
SMILESCC[C@@H](COC)N[C@H](c1nc(C)no1)C(C)C
InChIInChI=1S/C12H23N3O2/c1-6-10(7-16-5)14-11(8(2)3)12-13-9(4)15-17-12/h8,10-11,14H,6-7H2,1-5H3/t10-,11-/m0/s1
InChIKeyZYKBHYVKGYWELB-QWRGUYRKSA-N
XLogP2.09
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

(1R)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpropan-1-amine
CID 146534926
1-[(2S)-1-methoxybutan-2-yl]-3-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea
CID 129351780
1-[(2R)-1-methoxybutan-2-yl]-3-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea
CID 129328326
N-(1-methoxy-3-methylbutan-2-yl)-3-methyl-1,2,4-oxadiazol-5-amine
CID 106659786
1-methoxy-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-2-amine
CID 106757835
1-methoxy-3-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butan-2-amine
CID 115889167
N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]cyclopentanamine
CID 115720116
N-[1-(3,5-dimethylphenyl)ethyl]-1-methoxybutan-2-amine
CID 81344361
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 75516086
methyl 2-(3-methyl-1,2,4-oxadiazol-5-yl)propanoate
CID 77230842
N-(2-methoxyethyl)-2-[methyl-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide
CID 94000803
1-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]butan-2-amine
CID 81373255

Frequently Asked Questions

What is the IUPAC name of (2S)-1-methoxy-N-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]butan-2-amine?
The IUPAC name of (2S)-1-methoxy-N-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]butan-2-amine (CID 99719035) is (2S)-1-methoxy-N-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]butan-2-amine.
What is the SMILES notation for (2S)-1-methoxy-N-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]butan-2-amine?
The canonical SMILES for (2S)-1-methoxy-N-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]butan-2-amine is CC[C@@H](COC)N[C@H](c1nc(C)no1)C(C)C.
What is the InChIKey of (2S)-1-methoxy-N-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]butan-2-amine?
The InChIKey is ZYKBHYVKGYWELB-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-6-10(7-16-5)14-11(8(2)3)12-13-9(4)15-17-12/h8,10-11,14H,6-7H2,1-5H3/t10-,11-/m0/s1.
What are the key properties of (2S)-1-methoxy-N-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]butan-2-amine?
(2S)-1-methoxy-N-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]butan-2-amine has a molecular weight of 241.33 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methoxy-N-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]butan-2-amine is sourced from PubChem (CID 99719035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).