N-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-isoquinolin-5-yl-N-methylmethanamine

C24H25N3O3 — CID 42156732

IUPACN-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-isoquinolin-5-yl-N-methylmethanamine
SMILESCOc1ccc(-c2nc(CN(C)Cc3cccc4cnccc34)c(C)o2)c(OC)c1
InChIInChI=1S/C24H25N3O3/c1-16-22(26-24(30-16)21-9-8-19(28-3)12-23(21)29-4)15-27(2)14-18-7-5-6-17-13-25-11-10-20(17)18/h5-13H,14-15H2,1-4H3
InChIKeyYCJBXJSBAKESCU-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.85
Rot. Bonds7

About N-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-isoquinolin-5-yl-N-methylmethanamine

N-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-isoquinolin-5-yl-N-methylmethanamine (PubChem CID 42156732) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-isoquinolin-5-yl-N-methylmethanamine.

Molecular Properties

Compound NameN-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-isoquinolin-5-yl-N-methylmethanamine
PubChem CID42156732
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC NameN-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-isoquinolin-5-yl-N-methylmethanamine
SMILESCOc1ccc(-c2nc(CN(C)Cc3cccc4cnccc34)c(C)o2)c(OC)c1
InChIInChI=1S/C24H25N3O3/c1-16-22(26-24(30-16)21-9-8-19(28-3)12-23(21)29-4)15-27(2)14-18-7-5-6-17-13-25-11-10-20(17)18/h5-13H,14-15H2,1-4H3
InChIKeyYCJBXJSBAKESCU-UHFFFAOYSA-N
XLogP4.85
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-isoquinolin-5-yl-N-methylmethanamine with MolForge

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Related Compounds

N-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-isoquinolin-5-yl-N-methylmethanamine
CID 26405916
N-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N,2-dimethylpropan-1-amine
CID 26318638
1-isoquinolin-5-yl-N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-methylmethanamine
CID 77085219
N-methyl-N-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl]-1-naphthalen-1-ylmethanamine
CID 25382626
1-[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine
CID 56867120
N-[[2-(2,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(3-methoxyphenyl)-N-methylmethanamine
CID 26393221
1-(3,4-dimethoxyphenyl)-N-[[2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylmethanamine
CID 25281519
(1S)-N-[[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(3-methoxyphenyl)-N-methylethanamine
CID 42189949
1-[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine
CID 56864570
N-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine
CID 56870547
2-(2,4-dimethoxyphenyl)-4-[[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 42288009
3-[[2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]propan-1-ol
CID 56745585

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-isoquinolin-5-yl-N-methylmethanamine?
The IUPAC name of N-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-isoquinolin-5-yl-N-methylmethanamine (CID 42156732) is N-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-isoquinolin-5-yl-N-methylmethanamine.
What is the SMILES notation for N-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-isoquinolin-5-yl-N-methylmethanamine?
The canonical SMILES for N-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-isoquinolin-5-yl-N-methylmethanamine is COc1ccc(-c2nc(CN(C)Cc3cccc4cnccc34)c(C)o2)c(OC)c1.
What is the InChIKey of N-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-isoquinolin-5-yl-N-methylmethanamine?
The InChIKey is YCJBXJSBAKESCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-16-22(26-24(30-16)21-9-8-19(28-3)12-23(21)29-4)15-27(2)14-18-7-5-6-17-13-25-11-10-20(17)18/h5-13H,14-15H2,1-4H3.
What are the key properties of N-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-isoquinolin-5-yl-N-methylmethanamine?
N-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-isoquinolin-5-yl-N-methylmethanamine has a molecular weight of 403.48 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-isoquinolin-5-yl-N-methylmethanamine is sourced from PubChem (CID 42156732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).