N-methyl-1-[(2R)-oxan-2-yl]-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]methanamine

C17H22N2O2 — CID 99613583

IUPACN-methyl-1-[(2R)-oxan-2-yl]-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]methanamine
SMILESCN(Cc1cc(-c2ccccc2)no1)C[C@H]1CCCCO1
InChIInChI=1S/C17H22N2O2/c1-19(12-15-9-5-6-10-20-15)13-16-11-17(18-21-16)14-7-3-2-4-8-14/h2-4,7-8,11,15H,5-6,9-10,12-13H2,1H3/t15-/m1/s1
InChIKeyIMOAVUBNYQLUCA-OAHLLOKOSA-N
MW286.37 g/mol
LogP3.34
Rot. Bonds5

About N-methyl-1-[(2R)-oxan-2-yl]-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]methanamine

N-methyl-1-[(2R)-oxan-2-yl]-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]methanamine (PubChem CID 99613583) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is N-methyl-1-[(2R)-oxan-2-yl]-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(2R)-oxan-2-yl]-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]methanamine
PubChem CID99613583
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC NameN-methyl-1-[(2R)-oxan-2-yl]-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]methanamine
SMILESCN(Cc1cc(-c2ccccc2)no1)C[C@H]1CCCCO1
InChIInChI=1S/C17H22N2O2/c1-19(12-15-9-5-6-10-20-15)13-16-11-17(18-21-16)14-7-3-2-4-8-14/h2-4,7-8,11,15H,5-6,9-10,12-13H2,1H3/t15-/m1/s1
InChIKeyIMOAVUBNYQLUCA-OAHLLOKOSA-N
XLogP3.34
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-[(2R)-oxan-2-yl]-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]methanamine with MolForge

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Related Compounds

N,N-dimethyl-1-(3-phenyl-1,2-oxazol-5-yl)methanamine
CID 15761396
N-methyl-1-(oxan-2-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine
CID 86825192
N-methyl-N-[[2-methylsulfonyl-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]-1-(3-phenyl-1,2-oxazol-5-yl)methanamine
CID 26399431
N-[[5-[[methyl(oxan-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62430126
2-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline
CID 43591938
N'-methyl-N'-[(3-phenyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
CID 62686446
N-methyl-N-[(5-methyl-2-phenyl-1H-imidazol-4-yl)methyl]-1-[(2R)-oxan-2-yl]methanamine
CID 29116103
N-methyl-1-[5-(oxan-2-yl)thiophen-2-yl]-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]methanamine
CID 56889201
1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]methanamine
CID 171908814
N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-N-(furan-2-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 60585191
N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylmethanamine
CID 56888188
N-[(2,3-difluorophenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 86825135

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(2R)-oxan-2-yl]-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-[(2R)-oxan-2-yl]-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]methanamine (CID 99613583) is N-methyl-1-[(2R)-oxan-2-yl]-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-[(2R)-oxan-2-yl]-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-[(2R)-oxan-2-yl]-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]methanamine is CN(Cc1cc(-c2ccccc2)no1)C[C@H]1CCCCO1.
What is the InChIKey of N-methyl-1-[(2R)-oxan-2-yl]-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]methanamine?
The InChIKey is IMOAVUBNYQLUCA-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-19(12-15-9-5-6-10-20-15)13-16-11-17(18-21-16)14-7-3-2-4-8-14/h2-4,7-8,11,15H,5-6,9-10,12-13H2,1H3/t15-/m1/s1.
What are the key properties of N-methyl-1-[(2R)-oxan-2-yl]-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]methanamine?
N-methyl-1-[(2R)-oxan-2-yl]-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]methanamine has a molecular weight of 286.37 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(2R)-oxan-2-yl]-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]methanamine is sourced from PubChem (CID 99613583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).