1-naphthalen-2-yl-N-(1,2-oxazol-3-ylmethyl)ethanamine

C16H16N2O — CID 79501678

IUPAC1-naphthalen-2-yl-N-(1,2-oxazol-3-ylmethyl)ethanamine
SMILESCC(NCc1ccon1)c1ccc2ccccc2c1
InChIInChI=1S/C16H16N2O/c1-12(17-11-16-8-9-19-18-16)14-7-6-13-4-2-3-5-15(13)10-14/h2-10,12,17H,11H2,1H3
InChIKeyOOXYFHYUKZYRNN-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.68
Rot. Bonds4

About 1-naphthalen-2-yl-N-(1,2-oxazol-3-ylmethyl)ethanamine

1-naphthalen-2-yl-N-(1,2-oxazol-3-ylmethyl)ethanamine (PubChem CID 79501678) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-naphthalen-2-yl-N-(1,2-oxazol-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-naphthalen-2-yl-N-(1,2-oxazol-3-ylmethyl)ethanamine
PubChem CID79501678
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name1-naphthalen-2-yl-N-(1,2-oxazol-3-ylmethyl)ethanamine
SMILESCC(NCc1ccon1)c1ccc2ccccc2c1
InChIInChI=1S/C16H16N2O/c1-12(17-11-16-8-9-19-18-16)14-7-6-13-4-2-3-5-15(13)10-14/h2-10,12,17H,11H2,1H3
InChIKeyOOXYFHYUKZYRNN-UHFFFAOYSA-N
XLogP3.68
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylphenyl)-N-(1,2-oxazol-3-ylmethyl)ethanamine
CID 81171162
3-[1-(1,2-oxazol-3-ylmethylamino)ethyl]phenol
CID 81170422
4-[1-(1,2-oxazol-3-ylmethylamino)ethyl]phenol
CID 81170192
N-[(1-methylpyrazol-3-yl)methyl]-1-naphthalen-2-ylethanamine
CID 78921020
2-[(1-naphthalen-2-ylethylamino)methyl]phenol
CID 115602905
1-(4-nitrophenyl)-N-(1,2-oxazol-3-ylmethyl)ethanamine
CID 79822798
1-(5-chlorothiophen-3-yl)-N-(1,2-oxazol-3-ylmethyl)ethanamine
CID 102976657
N-(1,2-oxazol-3-ylmethyl)-1-(1-phenylpyrazol-4-yl)ethanamine
CID 81343580
N-methyl-N-[(1R)-1-naphthalen-2-ylethyl]-1-(1,2-oxazol-3-yl)methanesulfonamide
CID 97217869
4-methyl-N-(1-naphthalen-2-ylethyl)pentan-1-amine
CID 63452555
3-methyl-N-(1,2-oxazol-3-ylmethyl)butan-2-amine
CID 81171315
2-(1-naphthalen-2-ylethylamino)ethylurea
CID 83111282

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-N-(1,2-oxazol-3-ylmethyl)ethanamine?
The IUPAC name of 1-naphthalen-2-yl-N-(1,2-oxazol-3-ylmethyl)ethanamine (CID 79501678) is 1-naphthalen-2-yl-N-(1,2-oxazol-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-naphthalen-2-yl-N-(1,2-oxazol-3-ylmethyl)ethanamine?
The canonical SMILES for 1-naphthalen-2-yl-N-(1,2-oxazol-3-ylmethyl)ethanamine is CC(NCc1ccon1)c1ccc2ccccc2c1.
What is the InChIKey of 1-naphthalen-2-yl-N-(1,2-oxazol-3-ylmethyl)ethanamine?
The InChIKey is OOXYFHYUKZYRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-12(17-11-16-8-9-19-18-16)14-7-6-13-4-2-3-5-15(13)10-14/h2-10,12,17H,11H2,1H3.
What are the key properties of 1-naphthalen-2-yl-N-(1,2-oxazol-3-ylmethyl)ethanamine?
1-naphthalen-2-yl-N-(1,2-oxazol-3-ylmethyl)ethanamine has a molecular weight of 252.32 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-N-(1,2-oxazol-3-ylmethyl)ethanamine is sourced from PubChem (CID 79501678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).