N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1,3-benzoxazol-2-amine

C15H21N3O2 — CID 128979219

IUPACN-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1,3-benzoxazol-2-amine
SMILESCO[C@H]1C[C@@H](CN(C)c2nc3ccccc3o2)N(C)C1
InChIInChI=1S/C15H21N3O2/c1-17-10-12(19-3)8-11(17)9-18(2)15-16-13-6-4-5-7-14(13)20-15/h4-7,11-12H,8-10H2,1-3H3/t11-,12-/m0/s1
InChIKeyZAZURZULKRVQHS-RYUDHWBXSA-N
MW275.35 g/mol
LogP1.98
Rot. Bonds4

About N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1,3-benzoxazol-2-amine

N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1,3-benzoxazol-2-amine (PubChem CID 128979219) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1,3-benzoxazol-2-amine
PubChem CID128979219
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1,3-benzoxazol-2-amine
SMILESCO[C@H]1C[C@@H](CN(C)c2nc3ccccc3o2)N(C)C1
InChIInChI=1S/C15H21N3O2/c1-17-10-12(19-3)8-11(17)9-18(2)15-16-13-6-4-5-7-14(13)20-15/h4-7,11-12H,8-10H2,1-3H3/t11-,12-/m0/s1
InChIKeyZAZURZULKRVQHS-RYUDHWBXSA-N
XLogP1.98
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1,3-benzoxazol-2-amine with MolForge

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Related Compounds

N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-2-(2-methyl-1-benzofuran-3-yl)acetamide
CID 128982045
N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]-1,3-benzoxazol-2-amine
CID 97164630
1-[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-N-methyl-N-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]methanamine
CID 128984532
3-[[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl-methylamino]methyl]-1H-quinolin-2-one
CID 128981506
N'-(1,3-benzoxazol-2-yl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62587636
3-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl-methylamino]pyrazine-2-carbonitrile
CID 128979212
tert-butyl (3R)-3-[[1,3-benzoxazol-2-yl(methyl)amino]methyl]pyrrolidine-1-carboxylate
CID 97167632
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1,3-benzoxazol-2-amine
CID 121020808
N-methyl-N-(1-methylpiperidin-3-yl)-1,3-benzoxazol-2-amine
CID 69368653
1-[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylmethanamine
CID 128984497
N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-2-phenylethanesulfonamide
CID 128975380
1-[1,3-benzoxazol-2-yl(methyl)amino]-3-methoxypropan-2-ol
CID 54979252

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1,3-benzoxazol-2-amine?
The IUPAC name of N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1,3-benzoxazol-2-amine (CID 128979219) is N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1,3-benzoxazol-2-amine is CO[C@H]1C[C@@H](CN(C)c2nc3ccccc3o2)N(C)C1.
What is the InChIKey of N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1,3-benzoxazol-2-amine?
The InChIKey is ZAZURZULKRVQHS-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-17-10-12(19-3)8-11(17)9-18(2)15-16-13-6-4-5-7-14(13)20-15/h4-7,11-12H,8-10H2,1-3H3/t11-,12-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1,3-benzoxazol-2-amine?
N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1,3-benzoxazol-2-amine has a molecular weight of 275.35 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1,3-benzoxazol-2-amine is sourced from PubChem (CID 128979219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).