N,N-dimethyl-3-[[4-(methylaminomethyl)-1,3-oxazol-2-yl]oxy]aniline

C13H17N3O2 — CID 113378039

IUPACN,N-dimethyl-3-[[4-(methylaminomethyl)-1,3-oxazol-2-yl]oxy]aniline
SMILESCNCc1coc(Oc2cccc(N(C)C)c2)n1
InChIInChI=1S/C13H17N3O2/c1-14-8-10-9-17-13(15-10)18-12-6-4-5-11(7-12)16(2)3/h4-7,9,14H,8H2,1-3H3
InChIKeyZLPUULNEJOVJOZ-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.25
Rot. Bonds5

About N,N-dimethyl-3-[[4-(methylaminomethyl)-1,3-oxazol-2-yl]oxy]aniline

N,N-dimethyl-3-[[4-(methylaminomethyl)-1,3-oxazol-2-yl]oxy]aniline (PubChem CID 113378039) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N,N-dimethyl-3-[[4-(methylaminomethyl)-1,3-oxazol-2-yl]oxy]aniline.

Molecular Properties

Compound NameN,N-dimethyl-3-[[4-(methylaminomethyl)-1,3-oxazol-2-yl]oxy]aniline
PubChem CID113378039
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN,N-dimethyl-3-[[4-(methylaminomethyl)-1,3-oxazol-2-yl]oxy]aniline
SMILESCNCc1coc(Oc2cccc(N(C)C)c2)n1
InChIInChI=1S/C13H17N3O2/c1-14-8-10-9-17-13(15-10)18-12-6-4-5-11(7-12)16(2)3/h4-7,9,14H,8H2,1-3H3
InChIKeyZLPUULNEJOVJOZ-UHFFFAOYSA-N
XLogP2.25
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-3-[6-(methylaminomethyl)pyrazin-2-yl]oxyaniline
CID 66449849
1-[2-(1,3-benzodioxol-5-yloxy)-1,3-oxazol-4-yl]-N-methylmethanamine
CID 113377970
1-[2-(2,3-dihydro-1H-inden-5-yloxy)-1,3-oxazol-4-yl]-N-methylmethanamine
CID 113378023
N,N-dimethyl-3-[3-methyl-4-(methylaminomethyl)phenoxy]aniline
CID 62128804
N,N-dimethyl-3-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]aniline
CID 62322084
N-[[2-(3-iodophenoxy)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 113378029
1-[2-(2-chloro-5-methylphenoxy)-1,3-oxazol-4-yl]-N-methylmethanamine
CID 113378031
1-[2-[(3-chlorophenyl)methoxy]-1,3-oxazol-4-yl]-N-methylmethanamine
CID 113378069
[2-(3-fluorophenoxy)-1,3-oxazol-4-yl]methanol
CID 45157027
6-[3-(dimethylamino)phenoxy]-N-propylpyridin-2-amine
CID 80871143
3-(3-methoxyphenoxy)-N,N-dimethylaniline
CID 138490404
N,N-dimethyl-3-[3-[(propan-2-ylamino)methyl]phenoxy]aniline
CID 63942132

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[4-(methylaminomethyl)-1,3-oxazol-2-yl]oxy]aniline?
The IUPAC name of N,N-dimethyl-3-[[4-(methylaminomethyl)-1,3-oxazol-2-yl]oxy]aniline (CID 113378039) is N,N-dimethyl-3-[[4-(methylaminomethyl)-1,3-oxazol-2-yl]oxy]aniline.
What is the SMILES notation for N,N-dimethyl-3-[[4-(methylaminomethyl)-1,3-oxazol-2-yl]oxy]aniline?
The canonical SMILES for N,N-dimethyl-3-[[4-(methylaminomethyl)-1,3-oxazol-2-yl]oxy]aniline is CNCc1coc(Oc2cccc(N(C)C)c2)n1.
What is the InChIKey of N,N-dimethyl-3-[[4-(methylaminomethyl)-1,3-oxazol-2-yl]oxy]aniline?
The InChIKey is ZLPUULNEJOVJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-14-8-10-9-17-13(15-10)18-12-6-4-5-11(7-12)16(2)3/h4-7,9,14H,8H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[[4-(methylaminomethyl)-1,3-oxazol-2-yl]oxy]aniline?
N,N-dimethyl-3-[[4-(methylaminomethyl)-1,3-oxazol-2-yl]oxy]aniline has a molecular weight of 247.30 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[4-(methylaminomethyl)-1,3-oxazol-2-yl]oxy]aniline is sourced from PubChem (CID 113378039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).