N-methyl-1-[(2S)-oxolan-2-yl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine

C12H21N3O2 — CID 127923318

IUPACN-methyl-1-[(2S)-oxolan-2-yl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine
SMILESCC(C)c1nc(CN(C)C[C@@H]2CCCO2)no1
InChIInChI=1S/C12H21N3O2/c1-9(2)12-13-11(14-17-12)8-15(3)7-10-5-4-6-16-10/h9-10H,4-8H2,1-3H3/t10-/m0/s1
InChIKeyFTQRSXFYTXMIIM-JTQLQIEISA-N
MW239.32 g/mol
LogP1.80
Rot. Bonds5

About N-methyl-1-[(2S)-oxolan-2-yl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine

N-methyl-1-[(2S)-oxolan-2-yl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine (PubChem CID 127923318) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-methyl-1-[(2S)-oxolan-2-yl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(2S)-oxolan-2-yl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine
PubChem CID127923318
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-methyl-1-[(2S)-oxolan-2-yl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine
SMILESCC(C)c1nc(CN(C)C[C@@H]2CCCO2)no1
InChIInChI=1S/C12H21N3O2/c1-9(2)12-13-11(14-17-12)8-15(3)7-10-5-4-6-16-10/h9-10H,4-8H2,1-3H3/t10-/m0/s1
InChIKeyFTQRSXFYTXMIIM-JTQLQIEISA-N
XLogP1.80
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S)-1-[[(2R)-oxolan-2-yl]methyl]pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 129490622
N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methyl-1-[(2R)-oxan-2-yl]methanamine
CID 95761789
N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine;hydrochloride
CID 119912855
N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-[(2S)-oxolan-2-yl]methanamine
CID 127923306
(2S)-1-[methyl(oxolan-2-ylmethyl)amino]propan-2-ol
CID 103935026
2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-one
CID 63561422
N-(piperidin-4-ylmethyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine
CID 79713790
1,1,1-trifluoro-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63744057
N,N-dimethyl-1-[(2R)-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]methanamine
CID 95345198
N,4-dimethyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63347217
N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methanamine
CID 124754936
N',2-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine
CID 61431602

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(2S)-oxolan-2-yl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-[(2S)-oxolan-2-yl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine (CID 127923318) is N-methyl-1-[(2S)-oxolan-2-yl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-[(2S)-oxolan-2-yl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-[(2S)-oxolan-2-yl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine is CC(C)c1nc(CN(C)C[C@@H]2CCCO2)no1.
What is the InChIKey of N-methyl-1-[(2S)-oxolan-2-yl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
The InChIKey is FTQRSXFYTXMIIM-JTQLQIEISA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9(2)12-13-11(14-17-12)8-15(3)7-10-5-4-6-16-10/h9-10H,4-8H2,1-3H3/t10-/m0/s1.
What are the key properties of N-methyl-1-[(2S)-oxolan-2-yl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
N-methyl-1-[(2S)-oxolan-2-yl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine has a molecular weight of 239.32 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(2S)-oxolan-2-yl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine is sourced from PubChem (CID 127923318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).