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

C19H19F3N2O — CID 46137695

IUPAC1-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine
SMILESCc1ccc(C2=NOC(CNCc3cccc(C(F)(F)F)c3)C2)cc1
InChIInChI=1S/C19H19F3N2O/c1-13-5-7-15(8-6-13)18-10-17(25-24-18)12-23-11-14-3-2-4-16(9-14)19(20,21)22/h2-9,17,23H,10-12H2,1H3
InChIKeyBVHOMFLMVLGKIX-UHFFFAOYSA-N
MW348.37 g/mol
LogP4.30
Rot. Bonds5

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

1-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine (PubChem CID 46137695) has the molecular formula C19H19F3N2O and a molecular weight of 348.37 g/mol. Its IUPAC name is 1-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine
PubChem CID46137695
Molecular FormulaC19H19F3N2O
Molecular Weight348.37 g/mol
Exact Mass348.14
IUPAC Name1-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine
SMILESCc1ccc(C2=NOC(CNCc3cccc(C(F)(F)F)c3)C2)cc1
InChIInChI=1S/C19H19F3N2O/c1-13-5-7-15(8-6-13)18-10-17(25-24-18)12-23-11-14-3-2-4-16(9-14)19(20,21)22/h2-9,17,23H,10-12H2,1H3
InChIKeyBVHOMFLMVLGKIX-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-[3,5-bis(trifluoromethyl)phenyl]-N-[2-(4-methylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681992
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 23640771
3-[4-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681867
3-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 23640780
7-Benzyl-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene
CID 134788106
3-[3-(Trifluoromethyl)phenyl]-7-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene
CID 134788326
3-Phenyl-9-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene
CID 134788635
3-[3-(Trifluoromethyl)phenyl]-9-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene
CID 134789894
9-Benzyl-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene
CID 134795515
3-[3-(Trifluoromethyl)phenyl]-8-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
CID 134795704
(E)-5-methoxy-1-(4-(trifluoromethyl)phenyl)pentan-1-one O-(2-(benzylamino) ethyl) oxime
CID 178183404
1-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[(3-fluorophenyl)methyl]methanamine
CID 24715618

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine?
The IUPAC name of 1-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine (CID 46137695) is 1-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine.
What is the SMILES notation for 1-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine?
The canonical SMILES for 1-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine is Cc1ccc(C2=NOC(CNCc3cccc(C(F)(F)F)c3)C2)cc1.
What is the InChIKey of 1-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine?
The InChIKey is BVHOMFLMVLGKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O/c1-13-5-7-15(8-6-13)18-10-17(25-24-18)12-23-11-14-3-2-4-16(9-14)19(20,21)22/h2-9,17,23H,10-12H2,1H3.
What are the key properties of 1-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine?
1-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[[3-(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-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine is sourced from PubChem (CID 46137695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).