N'-benzyl-N'-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]-N,N-dimethylethane-1,2-diamine

C19H23N3O2 — CID 56679478

IUPACN'-benzyl-N'-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]-N,N-dimethylethane-1,2-diamine
SMILESCN(C)CCN(Cc1ccccc1)Cc1coc(-c2ccco2)n1
InChIInChI=1S/C19H23N3O2/c1-21(2)10-11-22(13-16-7-4-3-5-8-16)14-17-15-24-19(20-17)18-9-6-12-23-18/h3-9,12,15H,10-11,13-14H2,1-2H3
InChIKeyQROPJQRQYHZWCL-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.50
Rot. Bonds8

About N'-benzyl-N'-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]-N,N-dimethylethane-1,2-diamine

N'-benzyl-N'-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]-N,N-dimethylethane-1,2-diamine (PubChem CID 56679478) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N'-benzyl-N'-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]-N,N-dimethylethane-1,2-diamine
PubChem CID56679478
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN'-benzyl-N'-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]-N,N-dimethylethane-1,2-diamine
SMILESCN(C)CCN(Cc1ccccc1)Cc1coc(-c2ccco2)n1
InChIInChI=1S/C19H23N3O2/c1-21(2)10-11-22(13-16-7-4-3-5-8-16)14-17-15-24-19(20-17)18-9-6-12-23-18/h3-9,12,15H,10-11,13-14H2,1-2H3
InChIKeyQROPJQRQYHZWCL-UHFFFAOYSA-N
XLogP3.50
TPSA45.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]-N,N-dimethylethane-1,2-diamine?
The IUPAC name of N'-benzyl-N'-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]-N,N-dimethylethane-1,2-diamine (CID 56679478) is N'-benzyl-N'-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N'-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N'-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]-N,N-dimethylethane-1,2-diamine is CN(C)CCN(Cc1ccccc1)Cc1coc(-c2ccco2)n1.
What is the InChIKey of N'-benzyl-N'-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]-N,N-dimethylethane-1,2-diamine?
The InChIKey is QROPJQRQYHZWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-21(2)10-11-22(13-16-7-4-3-5-8-16)14-17-15-24-19(20-17)18-9-6-12-23-18/h3-9,12,15H,10-11,13-14H2,1-2H3.
What are the key properties of N'-benzyl-N'-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]-N,N-dimethylethane-1,2-diamine?
N'-benzyl-N'-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]-N,N-dimethylethane-1,2-diamine has a molecular weight of 325.41 g/mol, XLogP of 3.50, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 56679478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).