1-(4-ethylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine

C15H20N2O — CID 60719398

IUPAC1-(4-ethylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine
SMILESCCc1ccc(C(C)NCc2cc(C)no2)cc1
InChIInChI=1S/C15H20N2O/c1-4-13-5-7-14(8-6-13)12(3)16-10-15-9-11(2)17-18-15/h5-9,12,16H,4,10H2,1-3H3
InChIKeyNJYQRNYHXNJCGQ-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.40
Rot. Bonds5

About 1-(4-ethylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine

1-(4-ethylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine (PubChem CID 60719398) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine
PubChem CID60719398
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-(4-ethylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine
SMILESCCc1ccc(C(C)NCc2cc(C)no2)cc1
InChIInChI=1S/C15H20N2O/c1-4-13-5-7-14(8-6-13)12(3)16-10-15-9-11(2)17-18-15/h5-9,12,16H,4,10H2,1-3H3
InChIKeyNJYQRNYHXNJCGQ-UHFFFAOYSA-N
XLogP3.40
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-phenylethanamine
CID 60713961
1-(3,4-difluorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 60713930
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylethanamine
CID 62091240
1-(4-fluoro-3-methoxyphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 82993682
(1R)-N-[(4-ethylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81350057
N-[(5-bromofuran-2-yl)methyl]-1-(4-ethylphenyl)ethanamine
CID 43223765
3-[1-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethyl]benzenesulfonamide
CID 60720836
1-(4-ethylphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 43221514
N-[(3,4-dichlorophenyl)methyl]-1-(4-ethylphenyl)ethanamine
CID 43221490
1-(2,4-dichlorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 60719338
1-(2-methoxyphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 60713894
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-naphthalen-1-ylethanamine
CID 60713955

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine?
The IUPAC name of 1-(4-ethylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine (CID 60719398) is 1-(4-ethylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine?
The canonical SMILES for 1-(4-ethylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine is CCc1ccc(C(C)NCc2cc(C)no2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine?
The InChIKey is NJYQRNYHXNJCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-4-13-5-7-14(8-6-13)12(3)16-10-15-9-11(2)17-18-15/h5-9,12,16H,4,10H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine?
1-(4-ethylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine has a molecular weight of 244.34 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 60719398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).