N-[[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-naphthalen-1-ylethanamine

C22H19FN2O — CID 56668881

IUPACN-[[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-naphthalen-1-ylethanamine
SMILESCC(NCc1coc(-c2ccccc2F)n1)c1cccc2ccccc12
InChIInChI=1S/C22H19FN2O/c1-15(18-11-6-8-16-7-2-3-9-19(16)18)24-13-17-14-26-22(25-17)20-10-4-5-12-21(20)23/h2-12,14-15,24H,13H2,1H3
InChIKeyDBJRMTQNTVRWOO-UHFFFAOYSA-N
MW346.41 g/mol
LogP5.48
Rot. Bonds5

About N-[[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-naphthalen-1-ylethanamine

N-[[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-naphthalen-1-ylethanamine (PubChem CID 56668881) has the molecular formula C22H19FN2O and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-naphthalen-1-ylethanamine.

Molecular Properties

Compound NameN-[[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-naphthalen-1-ylethanamine
PubChem CID56668881
Molecular FormulaC22H19FN2O
Molecular Weight346.41 g/mol
Exact Mass346.15
IUPAC NameN-[[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-naphthalen-1-ylethanamine
SMILESCC(NCc1coc(-c2ccccc2F)n1)c1cccc2ccccc12
InChIInChI=1S/C22H19FN2O/c1-15(18-11-6-8-16-7-2-3-9-19(16)18)24-13-17-14-26-22(25-17)20-10-4-5-12-21(20)23/h2-12,14-15,24H,13H2,1H3
InChIKeyDBJRMTQNTVRWOO-UHFFFAOYSA-N
XLogP5.48
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.41
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-naphthalen-1-yl-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine
CID 56679583
N-[[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2,2-diphenylethanamine
CID 56662118
[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methanol
CID 55255072
N-[(4-fluorophenyl)methyl]-1-naphthalen-1-ylethanamine
CID 43178671
N-[[2-(4-bromo-2-fluorophenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 65288428
N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-3,3-dimethylbutan-2-amine
CID 56662054
N-[[2-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 65288045
N-[(2-fluoro-5-methylphenyl)methyl]-1-naphthalen-1-ylethanamine
CID 143626004
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-naphthalen-1-ylethanamine
CID 60713955
N-[(2,6-difluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 60659047
4-[[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methylamino]benzonitrile
CID 166339061
2-(2-fluorophenyl)-4-methyl-1,3-oxazole
CID 146080980

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-naphthalen-1-ylethanamine?
The IUPAC name of N-[[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-naphthalen-1-ylethanamine (CID 56668881) is N-[[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-naphthalen-1-ylethanamine.
What is the SMILES notation for N-[[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-naphthalen-1-ylethanamine?
The canonical SMILES for N-[[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-naphthalen-1-ylethanamine is CC(NCc1coc(-c2ccccc2F)n1)c1cccc2ccccc12.
What is the InChIKey of N-[[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-naphthalen-1-ylethanamine?
The InChIKey is DBJRMTQNTVRWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O/c1-15(18-11-6-8-16-7-2-3-9-19(16)18)24-13-17-14-26-22(25-17)20-10-4-5-12-21(20)23/h2-12,14-15,24H,13H2,1H3.
What are the key properties of N-[[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-naphthalen-1-ylethanamine?
N-[[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-naphthalen-1-ylethanamine has a molecular weight of 346.41 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-naphthalen-1-ylethanamine is sourced from PubChem (CID 56668881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).