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

C17H25N3O — CID 43729351

IUPAC2-(diethylaminomethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]aniline
SMILESCCN(CC)Cc1ccccc1NCc1c(C)noc1C
InChIInChI=1S/C17H25N3O/c1-5-20(6-2)12-15-9-7-8-10-17(15)18-11-16-13(3)19-21-14(16)4/h7-10,18H,5-6,11-12H2,1-4H3
InChIKeyBAGFHZDWDREJBK-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.75
Rot. Bonds7

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

2-(diethylaminomethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]aniline (PubChem CID 43729351) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-(diethylaminomethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name2-(diethylaminomethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]aniline
PubChem CID43729351
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-(diethylaminomethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]aniline
SMILESCCN(CC)Cc1ccccc1NCc1c(C)noc1C
InChIInChI=1S/C17H25N3O/c1-5-20(6-2)12-15-9-7-8-10-17(15)18-11-16-13(3)19-21-14(16)4/h7-10,18H,5-6,11-12H2,1-4H3
InChIKeyBAGFHZDWDREJBK-UHFFFAOYSA-N
XLogP3.75
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylaminomethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]aniline?
The IUPAC name of 2-(diethylaminomethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]aniline (CID 43729351) is 2-(diethylaminomethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]aniline.
What is the SMILES notation for 2-(diethylaminomethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]aniline?
The canonical SMILES for 2-(diethylaminomethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]aniline is CCN(CC)Cc1ccccc1NCc1c(C)noc1C.
What is the InChIKey of 2-(diethylaminomethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]aniline?
The InChIKey is BAGFHZDWDREJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-5-20(6-2)12-15-9-7-8-10-17(15)18-11-16-13(3)19-21-14(16)4/h7-10,18H,5-6,11-12H2,1-4H3.
What are the key properties of 2-(diethylaminomethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]aniline?
2-(diethylaminomethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]aniline has a molecular weight of 287.41 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylaminomethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]aniline is sourced from PubChem (CID 43729351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).