N-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)methanamine

C23H27N3O2 — CID 45177571

IUPACN-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)methanamine
SMILESCc1cccc(-c2nc(CN(Cc3ccccn3)CC3CCCO3)c(C)o2)c1
InChIInChI=1S/C23H27N3O2/c1-17-7-5-8-19(13-17)23-25-22(18(2)28-23)16-26(15-21-10-6-12-27-21)14-20-9-3-4-11-24-20/h3-5,7-9,11,13,21H,6,10,12,14-16H2,1-2H3
InChIKeyCUZYXMWFJRWURM-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.53
Rot. Bonds7

About N-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)methanamine

N-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 45177571) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound NameN-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)methanamine
PubChem CID45177571
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)methanamine
SMILESCc1cccc(-c2nc(CN(Cc3ccccn3)CC3CCCO3)c(C)o2)c1
InChIInChI=1S/C23H27N3O2/c1-17-7-5-8-19(13-17)23-25-22(18(2)28-23)16-26(15-21-10-6-12-27-21)14-20-9-3-4-11-24-20/h3-5,7-9,11,13,21H,6,10,12,14-16H2,1-2H3
InChIKeyCUZYXMWFJRWURM-UHFFFAOYSA-N
XLogP4.53
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 45235431
N-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-4-ylmethyl)methanamine
CID 28957509
N-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 92614286
N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 144767444
N-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]-1-(oxolan-2-yl)-N-(pyridin-4-ylmethyl)methanamine
CID 45245587
N-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]ethanamine
CID 26316967
3-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)propan-1-amine
CID 46982503
N-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methyl]-1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 46953983
N-[(2-methoxyphenyl)methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 95275137
1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine
CID 135099921
N-methyl-3-[[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]pyridin-2-amine
CID 46983238
3,5-dimethyl-2-[[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]-1H-pyridin-4-one
CID 135112625

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of N-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)methanamine (CID 45177571) is N-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for N-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for N-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)methanamine is Cc1cccc(-c2nc(CN(Cc3ccccn3)CC3CCCO3)c(C)o2)c1.
What is the InChIKey of N-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is CUZYXMWFJRWURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-17-7-5-8-19(13-17)23-25-22(18(2)28-23)16-26(15-21-10-6-12-27-21)14-20-9-3-4-11-24-20/h3-5,7-9,11,13,21H,6,10,12,14-16H2,1-2H3.
What are the key properties of N-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)methanamine?
N-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 377.49 g/mol, XLogP of 4.53, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 45177571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).