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

C15H20N2O — CID 78904148

IUPACN-ethyl-3,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]aniline
SMILESCCN(Cc1cc(C)no1)c1cc(C)cc(C)c1
InChIInChI=1S/C15H20N2O/c1-5-17(10-15-9-13(4)16-18-15)14-7-11(2)6-12(3)8-14/h6-9H,5,10H2,1-4H3
InChIKeyPYOWZKZZSUSEDJ-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.63
Rot. Bonds4

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

N-ethyl-3,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]aniline (PubChem CID 78904148) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-ethyl-3,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]aniline.

Molecular Properties

Compound NameN-ethyl-3,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]aniline
PubChem CID78904148
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-ethyl-3,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]aniline
SMILESCCN(Cc1cc(C)no1)c1cc(C)cc(C)c1
InChIInChI=1S/C15H20N2O/c1-5-17(10-15-9-13(4)16-18-15)14-7-11(2)6-12(3)8-14/h6-9H,5,10H2,1-4H3
InChIKeyPYOWZKZZSUSEDJ-UHFFFAOYSA-N
XLogP3.63
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]aniline?
The IUPAC name of N-ethyl-3,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]aniline (CID 78904148) is N-ethyl-3,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]aniline.
What is the SMILES notation for N-ethyl-3,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]aniline?
The canonical SMILES for N-ethyl-3,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]aniline is CCN(Cc1cc(C)no1)c1cc(C)cc(C)c1.
What is the InChIKey of N-ethyl-3,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]aniline?
The InChIKey is PYOWZKZZSUSEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-5-17(10-15-9-13(4)16-18-15)14-7-11(2)6-12(3)8-14/h6-9H,5,10H2,1-4H3.
What are the key properties of N-ethyl-3,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]aniline?
N-ethyl-3,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]aniline has a molecular weight of 244.34 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]aniline is sourced from PubChem (CID 78904148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).