4-[4-(2-aminoethyl)-1,2-oxazol-3-yl]-N,N-dimethylaniline

C13H17N3O — CID 82289199

IUPAC4-[4-(2-aminoethyl)-1,2-oxazol-3-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nocc2CCN)cc1
InChIInChI=1S/C13H17N3O/c1-16(2)12-5-3-10(4-6-12)13-11(7-8-14)9-17-15-13/h3-6,9H,7-8,14H2,1-2H3
InChIKeyOJZLBMAYLYGJAH-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.91
Rot. Bonds4

About 4-[4-(2-aminoethyl)-1,2-oxazol-3-yl]-N,N-dimethylaniline

4-[4-(2-aminoethyl)-1,2-oxazol-3-yl]-N,N-dimethylaniline (PubChem CID 82289199) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-[4-(2-aminoethyl)-1,2-oxazol-3-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[4-(2-aminoethyl)-1,2-oxazol-3-yl]-N,N-dimethylaniline
PubChem CID82289199
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name4-[4-(2-aminoethyl)-1,2-oxazol-3-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nocc2CCN)cc1
InChIInChI=1S/C13H17N3O/c1-16(2)12-5-3-10(4-6-12)13-11(7-8-14)9-17-15-13/h3-6,9H,7-8,14H2,1-2H3
InChIKeyOJZLBMAYLYGJAH-UHFFFAOYSA-N
XLogP1.91
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-pyridin-3-yl-1,2-oxazol-4-yl)ethanamine
CID 82281197
[3-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanamine
CID 82284911
2-[3-(2-chlorophenyl)-1,2-oxazol-4-yl]ethanamine
CID 82287035
4-[5-(2-aminoethyl)-2-pyridinyl]-N,N-dimethylaniline
CID 59419619
4-[5-(2-aminoethyl)-2-methyl-1,2,4-triazol-3-yl]-N,N-dimethylaniline
CID 82479150
4-[2-(aminomethyl)-5-methyl-1H-imidazol-4-yl]-N,N-dimethylaniline
CID 82474486
4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;ethane
CID 91522137
4-(fluoromethyl)-3-phenyl-1,2-oxazole
CID 141159129
N,N-dimethyl-4-(oxadiazol-4-yl)aniline
CID 172692662
4-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]aniline
CID 101044631
4-[4-(dimethylamino)phenyl]furo[2,3-d]pyrimidin-5-amine
CID 82375396
4-(4-chlorophenyl)-N,N-dimethylaniline
CID 2757476

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-aminoethyl)-1,2-oxazol-3-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[4-(2-aminoethyl)-1,2-oxazol-3-yl]-N,N-dimethylaniline (CID 82289199) is 4-[4-(2-aminoethyl)-1,2-oxazol-3-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[4-(2-aminoethyl)-1,2-oxazol-3-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[4-(2-aminoethyl)-1,2-oxazol-3-yl]-N,N-dimethylaniline is CN(C)c1ccc(-c2nocc2CCN)cc1.
What is the InChIKey of 4-[4-(2-aminoethyl)-1,2-oxazol-3-yl]-N,N-dimethylaniline?
The InChIKey is OJZLBMAYLYGJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-16(2)12-5-3-10(4-6-12)13-11(7-8-14)9-17-15-13/h3-6,9H,7-8,14H2,1-2H3.
What are the key properties of 4-[4-(2-aminoethyl)-1,2-oxazol-3-yl]-N,N-dimethylaniline?
4-[4-(2-aminoethyl)-1,2-oxazol-3-yl]-N,N-dimethylaniline has a molecular weight of 231.30 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-aminoethyl)-1,2-oxazol-3-yl]-N,N-dimethylaniline is sourced from PubChem (CID 82289199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).