N-(4,5-dihydro-1,3-oxazol-2-ylmethyl)-N-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]aniline

C15H19N3O2 — CID 123274666

IUPACN-(4,5-dihydro-1,3-oxazol-2-ylmethyl)-N-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]aniline
SMILESCC1COC(CN(CC2=NCCO2)c2ccccc2)=N1
InChIInChI=1S/C15H19N3O2/c1-12-11-20-15(17-12)10-18(9-14-16-7-8-19-14)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3
InChIKeyYAPVLKSLHPUQPI-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.74
Rot. Bonds5

About N-(4,5-dihydro-1,3-oxazol-2-ylmethyl)-N-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]aniline

N-(4,5-dihydro-1,3-oxazol-2-ylmethyl)-N-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]aniline (PubChem CID 123274666) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-oxazol-2-ylmethyl)-N-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]aniline.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-oxazol-2-ylmethyl)-N-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]aniline
PubChem CID123274666
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-(4,5-dihydro-1,3-oxazol-2-ylmethyl)-N-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]aniline
SMILESCC1COC(CN(CC2=NCCO2)c2ccccc2)=N1
InChIInChI=1S/C15H19N3O2/c1-12-11-20-15(17-12)10-18(9-14-16-7-8-19-14)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3
InChIKeyYAPVLKSLHPUQPI-UHFFFAOYSA-N
XLogP1.74
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-oxazol-2-ylmethyl)-N-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]aniline?
The IUPAC name of N-(4,5-dihydro-1,3-oxazol-2-ylmethyl)-N-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]aniline (CID 123274666) is N-(4,5-dihydro-1,3-oxazol-2-ylmethyl)-N-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]aniline.
What is the SMILES notation for N-(4,5-dihydro-1,3-oxazol-2-ylmethyl)-N-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]aniline?
The canonical SMILES for N-(4,5-dihydro-1,3-oxazol-2-ylmethyl)-N-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]aniline is CC1COC(CN(CC2=NCCO2)c2ccccc2)=N1.
What is the InChIKey of N-(4,5-dihydro-1,3-oxazol-2-ylmethyl)-N-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]aniline?
The InChIKey is YAPVLKSLHPUQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-12-11-20-15(17-12)10-18(9-14-16-7-8-19-14)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3.
What are the key properties of N-(4,5-dihydro-1,3-oxazol-2-ylmethyl)-N-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]aniline?
N-(4,5-dihydro-1,3-oxazol-2-ylmethyl)-N-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]aniline has a molecular weight of 273.34 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-oxazol-2-ylmethyl)-N-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]aniline is sourced from PubChem (CID 123274666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).