N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-naphthalen-1-ylethanamine

C17H18N2O — CID 60713955

IUPACN-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-naphthalen-1-ylethanamine
SMILESCc1cc(CNC(C)c2cccc3ccccc23)on1
InChIInChI=1S/C17H18N2O/c1-12-10-15(20-19-12)11-18-13(2)16-9-5-7-14-6-3-4-8-17(14)16/h3-10,13,18H,11H2,1-2H3
InChIKeySTVXUYBGKAZPLJ-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.99
Rot. Bonds4

About N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-naphthalen-1-ylethanamine

N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-naphthalen-1-ylethanamine (PubChem CID 60713955) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-naphthalen-1-ylethanamine.

Molecular Properties

Compound NameN-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-naphthalen-1-ylethanamine
PubChem CID60713955
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC NameN-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-naphthalen-1-ylethanamine
SMILESCc1cc(CNC(C)c2cccc3ccccc23)on1
InChIInChI=1S/C17H18N2O/c1-12-10-15(20-19-12)11-18-13(2)16-9-5-7-14-6-3-4-8-17(14)16/h3-10,13,18H,11H2,1-2H3
InChIKeySTVXUYBGKAZPLJ-UHFFFAOYSA-N
XLogP3.99
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-phenylethanamine
CID 60713961
1-(2,4-dichlorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 60719338
1-(4-ethylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 60719398
1-naphthalen-1-yl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 62759136
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
[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
CID 8646332
N-[(2-fluoro-5-methylphenyl)methyl]-1-naphthalen-1-ylethanamine
CID 143626004
N-[(2-iodophenyl)methyl]-1-naphthalen-1-ylethanamine
CID 68766120
N-[(4-fluorophenyl)methyl]-1-naphthalen-1-ylethanamine
CID 43178671
(1R)-1-naphthalen-1-yl-N-[[3-(2-trimethylsilylethynyl)phenyl]methyl]ethanamine
CID 59562929

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-naphthalen-1-ylethanamine?
The IUPAC name of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-naphthalen-1-ylethanamine (CID 60713955) is N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-naphthalen-1-ylethanamine.
What is the SMILES notation for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-naphthalen-1-ylethanamine?
The canonical SMILES for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-naphthalen-1-ylethanamine is Cc1cc(CNC(C)c2cccc3ccccc23)on1.
What is the InChIKey of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-naphthalen-1-ylethanamine?
The InChIKey is STVXUYBGKAZPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12-10-15(20-19-12)11-18-13(2)16-9-5-7-14-6-3-4-8-17(14)16/h3-10,13,18H,11H2,1-2H3.
What are the key properties of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-naphthalen-1-ylethanamine?
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-naphthalen-1-ylethanamine has a molecular weight of 266.34 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-naphthalen-1-ylethanamine is sourced from PubChem (CID 60713955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).