1-[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-N-methyl-N-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]methanamine

C19H27N3O2 — CID 128984532

IUPAC1-[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-N-methyl-N-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]methanamine
SMILESCO[C@H]1C[C@@H](CN(C)Cc2ncc(-c3ccc(C)cc3)o2)N(C)C1
InChIInChI=1S/C19H27N3O2/c1-14-5-7-15(8-6-14)18-10-20-19(24-18)13-21(2)11-16-9-17(23-4)12-22(16)3/h5-8,10,16-17H,9,11-13H2,1-4H3/t16-,17-/m0/s1
InChIKeyCCKPLBPLALJKCT-IRXDYDNUSA-N
MW329.44 g/mol
LogP2.80
Rot. Bonds6

About 1-[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-N-methyl-N-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]methanamine

1-[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-N-methyl-N-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]methanamine (PubChem CID 128984532) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-N-methyl-N-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]methanamine.

Molecular Properties

Compound Name1-[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-N-methyl-N-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]methanamine
PubChem CID128984532
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-N-methyl-N-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]methanamine
SMILESCO[C@H]1C[C@@H](CN(C)Cc2ncc(-c3ccc(C)cc3)o2)N(C)C1
InChIInChI=1S/C19H27N3O2/c1-14-5-7-15(8-6-14)18-10-20-19(24-18)13-21(2)11-16-9-17(23-4)12-22(16)3/h5-8,10,16-17H,9,11-13H2,1-4H3/t16-,17-/m0/s1
InChIKeyCCKPLBPLALJKCT-IRXDYDNUSA-N
XLogP2.80
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl-methylamino]methyl]furan-2-yl]methanol
CID 128981517
1-[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylmethanamine
CID 128984497
N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-1-[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-N-methylmethanamine
CID 128981481
N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 128981939
5-bromo-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylpyrimidin-2-amine
CID 128979202
5-(3-fluorophenyl)-2-[[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 128982322
3-[[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl-methylamino]methyl]-1H-quinolin-2-one
CID 128981506
2-[[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-(2-methylphenyl)-1,3-oxazole
CID 154745361
3-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl-methylamino]propanoic acid;hydrochloride
CID 119911544
N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N,3-dimethylpyridine-2-carboxamide
CID 128981937
N-methyl-1-(oxan-2-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine
CID 86825192
N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-2-(2-methyl-1-benzofuran-3-yl)acetamide
CID 128982045

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-N-methyl-N-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]methanamine?
The IUPAC name of 1-[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-N-methyl-N-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]methanamine (CID 128984532) is 1-[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-N-methyl-N-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]methanamine.
What is the SMILES notation for 1-[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-N-methyl-N-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]methanamine?
The canonical SMILES for 1-[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-N-methyl-N-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]methanamine is CO[C@H]1C[C@@H](CN(C)Cc2ncc(-c3ccc(C)cc3)o2)N(C)C1.
What is the InChIKey of 1-[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-N-methyl-N-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]methanamine?
The InChIKey is CCKPLBPLALJKCT-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14-5-7-15(8-6-14)18-10-20-19(24-18)13-21(2)11-16-9-17(23-4)12-22(16)3/h5-8,10,16-17H,9,11-13H2,1-4H3/t16-,17-/m0/s1.
What are the key properties of 1-[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-N-methyl-N-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]methanamine?
1-[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-N-methyl-N-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]methanamine has a molecular weight of 329.44 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-N-methyl-N-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]methanamine is sourced from PubChem (CID 128984532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).