1-naphthalen-1-yl-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine

C23H19F3N2O — CID 56679583

IUPAC1-naphthalen-1-yl-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine
SMILESCC(NCc1coc(-c2ccc(C(F)(F)F)cc2)n1)c1cccc2ccccc12
InChIInChI=1S/C23H19F3N2O/c1-15(20-8-4-6-16-5-2-3-7-21(16)20)27-13-19-14-29-22(28-19)17-9-11-18(12-10-17)23(24,25)26/h2-12,14-15,27H,13H2,1H3
InChIKeyKVTMXTPGMVJIAY-UHFFFAOYSA-N
MW396.41 g/mol
LogP6.36
Rot. Bonds5

About 1-naphthalen-1-yl-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine

1-naphthalen-1-yl-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine (PubChem CID 56679583) has the molecular formula C23H19F3N2O and a molecular weight of 396.41 g/mol. Its IUPAC name is 1-naphthalen-1-yl-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name1-naphthalen-1-yl-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine
PubChem CID56679583
Molecular FormulaC23H19F3N2O
Molecular Weight396.41 g/mol
Exact Mass396.14
IUPAC Name1-naphthalen-1-yl-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine
SMILESCC(NCc1coc(-c2ccc(C(F)(F)F)cc2)n1)c1cccc2ccccc12
InChIInChI=1S/C23H19F3N2O/c1-15(20-8-4-6-16-5-2-3-7-21(16)20)27-13-19-14-29-22(28-19)17-9-11-18(12-10-17)23(24,25)26/h2-12,14-15,27H,13H2,1H3
InChIKeyKVTMXTPGMVJIAY-UHFFFAOYSA-N
XLogP6.36
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.41
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-naphthalen-1-ylethanamine
CID 56668881
(1R)-1-naphthalen-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 70834221
N-[[1-ethyl-3-[4-(trifluoromethyl)phenyl]indol-5-yl]methyl]-1-naphthalen-1-ylethanamine
CID 21087523
N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-phenylbutan-2-amine
CID 56677220
N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pentan-2-amine
CID 56682845
N-[(4-methylphenyl)methyl]-3-[[(1R)-1-naphthalen-1-ylethyl]amino]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 59516678
(E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 46194726
1-naphthalen-1-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 106427136
2-[3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]propan-2-amine
CID 70834368
N-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 56661942
N-(2-propan-2-ylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 84553338
N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 112818351

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine?
The IUPAC name of 1-naphthalen-1-yl-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine (CID 56679583) is 1-naphthalen-1-yl-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine.
What is the SMILES notation for 1-naphthalen-1-yl-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine?
The canonical SMILES for 1-naphthalen-1-yl-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine is CC(NCc1coc(-c2ccc(C(F)(F)F)cc2)n1)c1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-yl-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine?
The InChIKey is KVTMXTPGMVJIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O/c1-15(20-8-4-6-16-5-2-3-7-21(16)20)27-13-19-14-29-22(28-19)17-9-11-18(12-10-17)23(24,25)26/h2-12,14-15,27H,13H2,1H3.
What are the key properties of 1-naphthalen-1-yl-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine?
1-naphthalen-1-yl-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine has a molecular weight of 396.41 g/mol, XLogP of 6.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 56679583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).