1-[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine

C19H19F3N2O — CID 46137699

IUPAC1-[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
SMILESCc1ccccc1C1=NOC(CNCc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C19H19F3N2O/c1-13-4-2-3-5-17(13)18-10-16(25-24-18)12-23-11-14-6-8-15(9-7-14)19(20,21)22/h2-9,16,23H,10-12H2,1H3
InChIKeyQWVFCZAUHWNWPU-UHFFFAOYSA-N
MW348.37 g/mol
LogP4.30
Rot. Bonds5

About 1-[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine

1-[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine (PubChem CID 46137699) has the molecular formula C19H19F3N2O and a molecular weight of 348.37 g/mol. Its IUPAC name is 1-[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
PubChem CID46137699
Molecular FormulaC19H19F3N2O
Molecular Weight348.37 g/mol
Exact Mass348.14
IUPAC Name1-[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
SMILESCc1ccccc1C1=NOC(CNCc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C19H19F3N2O/c1-13-4-2-3-5-17(13)18-10-16(25-24-18)12-23-11-14-6-8-15(9-7-14)19(20,21)22/h2-9,16,23H,10-12H2,1H3
InChIKeyQWVFCZAUHWNWPU-UHFFFAOYSA-N
XLogP4.30
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(trifluoromethyl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681875
N-[(4-methylphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681935
3-[4-(trifluoromethyl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydroisoxazole-5-carboxamide
CID 16681990
N-[2-(4-methylphenyl)ethyl]-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681876
3-[2-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681879
(E)-5-methoxy-1-(4-(trifluoromethyl)phenyl)pentan-1-one O-(2-(benzylamino) ethyl) oxime
CID 178183404
3-tert-butyl-1-[(4-fluorophenyl)methyl]-1-[[(5R)-3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea
CID 8050682
1-benzyl-3-tert-butyl-1-[[(5R)-3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea
CID 8074490
1-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[(3-fluorophenyl)methyl]methanamine
CID 24715618
N-[(2,4-difluorophenyl)methyl]-1-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine
CID 45948148
1-[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 45950029
N-[(2,4-difluorophenyl)methyl]-1-[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine
CID 45950061

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine?
The IUPAC name of 1-[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine (CID 46137699) is 1-[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine.
What is the SMILES notation for 1-[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine?
The canonical SMILES for 1-[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine is Cc1ccccc1C1=NOC(CNCc2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 1-[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine?
The InChIKey is QWVFCZAUHWNWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O/c1-13-4-2-3-5-17(13)18-10-16(25-24-18)12-23-11-14-6-8-15(9-7-14)19(20,21)22/h2-9,16,23H,10-12H2,1H3.
What are the key properties of 1-[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine?
1-[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine has a molecular weight of 348.37 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine is sourced from PubChem (CID 46137699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).