N-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyloxolan-3-amine

C19H26N2O3 — CID 45228461

IUPACN-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyloxolan-3-amine
SMILESCOc1cc(C)c(-c2nc(CN(C)C3CCOC3)c(C)o2)cc1C
InChIInChI=1S/C19H26N2O3/c1-12-9-18(22-5)13(2)8-16(12)19-20-17(14(3)24-19)10-21(4)15-6-7-23-11-15/h8-9,15H,6-7,10-11H2,1-5H3
InChIKeyQREDUUQHRAAQBI-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.50
Rot. Bonds5

About N-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyloxolan-3-amine

N-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyloxolan-3-amine (PubChem CID 45228461) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyloxolan-3-amine
PubChem CID45228461
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyloxolan-3-amine
SMILESCOc1cc(C)c(-c2nc(CN(C)C3CCOC3)c(C)o2)cc1C
InChIInChI=1S/C19H26N2O3/c1-12-9-18(22-5)13(2)8-16(12)19-20-17(14(3)24-19)10-21(4)15-6-7-23-11-15/h8-9,15H,6-7,10-11H2,1-5H3
InChIKeyQREDUUQHRAAQBI-UHFFFAOYSA-N
XLogP3.50
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyloxolan-3-amine with MolForge

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Related Compounds

N-methyl-N-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]oxolan-3-amine
CID 45249976
N-methyl-N-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]oxolan-3-amine
CID 45178099
methyl 4-[5-methyl-4-[[methyl-[(3S)-oxolan-3-yl]amino]methyl]-1,3-oxazol-2-yl]benzoate
CID 42595758
N-methyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]oxolan-3-amine
CID 45191507
N-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(4-methoxyphenyl)-N-methylethanamine
CID 45194717
1-[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 25453650
N-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyloxan-4-amine
CID 26328628
(3S)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-ol
CID 95210795
2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole
CID 56754112
methyl (2S)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxylate
CID 42345389
(3R)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylpyrrolidine-3-carboxamide
CID 95200379
4-methoxy-3-[[methyl(oxolan-3-yl)amino]methyl]benzenecarbothioamide
CID 82738637

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyloxolan-3-amine?
The IUPAC name of N-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyloxolan-3-amine (CID 45228461) is N-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyloxolan-3-amine.
What is the SMILES notation for N-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyloxolan-3-amine?
The canonical SMILES for N-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyloxolan-3-amine is COc1cc(C)c(-c2nc(CN(C)C3CCOC3)c(C)o2)cc1C.
What is the InChIKey of N-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyloxolan-3-amine?
The InChIKey is QREDUUQHRAAQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-12-9-18(22-5)13(2)8-16(12)19-20-17(14(3)24-19)10-21(4)15-6-7-23-11-15/h8-9,15H,6-7,10-11H2,1-5H3.
What are the key properties of N-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyloxolan-3-amine?
N-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyloxolan-3-amine has a molecular weight of 330.43 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyloxolan-3-amine is sourced from PubChem (CID 45228461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).