N-methyl-N-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine

C16H19N3O3 — CID 45203103

IUPACN-methyl-N-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine
SMILESCc1ccc(-c2nc(CN(C)C(C)c3ccon3)c(C)o2)o1
InChIInChI=1S/C16H19N3O3/c1-10-5-6-15(21-10)16-17-14(12(3)22-16)9-19(4)11(2)13-7-8-20-18-13/h5-8,11H,9H2,1-4H3
InChIKeyYDBGWHQNAGPMMQ-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.73
Rot. Bonds5

About N-methyl-N-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine

N-methyl-N-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine (PubChem CID 45203103) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-methyl-N-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-N-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine
PubChem CID45203103
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-methyl-N-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine
SMILESCc1ccc(-c2nc(CN(C)C(C)c3ccon3)c(C)o2)o1
InChIInChI=1S/C16H19N3O3/c1-10-5-6-15(21-10)16-17-14(12(3)22-16)9-19(4)11(2)13-7-8-20-18-13/h5-8,11H,9H2,1-4H3
InChIKeyYDBGWHQNAGPMMQ-UHFFFAOYSA-N
XLogP3.73
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-methyl-N-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine?
The IUPAC name of N-methyl-N-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine (CID 45203103) is N-methyl-N-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine.
What is the SMILES notation for N-methyl-N-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine?
The canonical SMILES for N-methyl-N-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine is Cc1ccc(-c2nc(CN(C)C(C)c3ccon3)c(C)o2)o1.
What is the InChIKey of N-methyl-N-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine?
The InChIKey is YDBGWHQNAGPMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-10-5-6-15(21-10)16-17-14(12(3)22-16)9-19(4)11(2)13-7-8-20-18-13/h5-8,11H,9H2,1-4H3.
What are the key properties of N-methyl-N-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine?
N-methyl-N-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine has a molecular weight of 301.35 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine is sourced from PubChem (CID 45203103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).