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

C19H17F3N2O — CID 56669387

IUPACN-[[2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
SMILESCc1ccccc1-c1nc(CNCc2ccc(C(F)(F)F)cc2)co1
InChIInChI=1S/C19H17F3N2O/c1-13-4-2-3-5-17(13)18-24-16(12-25-18)11-23-10-14-6-8-15(9-7-14)19(20,21)22/h2-9,12,23H,10-11H2,1H3
InChIKeyJISYVKKTOCYCFD-UHFFFAOYSA-N
MW346.35 g/mol
LogP4.96
Rot. Bonds5

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

N-[[2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 56669387) has the molecular formula C19H17F3N2O and a molecular weight of 346.35 g/mol. Its IUPAC name is N-[[2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[[2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
PubChem CID56669387
Molecular FormulaC19H17F3N2O
Molecular Weight346.35 g/mol
Exact Mass346.13
IUPAC NameN-[[2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
SMILESCc1ccccc1-c1nc(CNCc2ccc(C(F)(F)F)cc2)co1
InChIInChI=1S/C19H17F3N2O/c1-13-4-2-3-5-17(13)18-24-16(12-25-18)11-23-10-14-6-8-15(9-7-14)19(20,21)22/h2-9,12,23H,10-11H2,1H3
InChIKeyJISYVKKTOCYCFD-UHFFFAOYSA-N
XLogP4.96
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-3-ylmethanamine
CID 56662110
N-[[2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]prop-2-yn-1-amine
CID 56675870
N-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 65288378
[2-(2-methylphenyl)-1,3-oxazol-4-yl]methanol
CID 55255073
1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 594666
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 60702122
N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 65288314
N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine
CID 56672843
N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 56675836
1-(3-methoxyphenyl)-N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]methanamine
CID 56672478
N-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]-1-(2-methylphenyl)methanamine
CID 56675593
N-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 56661942

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-[[2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine (CID 56669387) is N-[[2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-[[2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-[[2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine is Cc1ccccc1-c1nc(CNCc2ccc(C(F)(F)F)cc2)co1.
What is the InChIKey of N-[[2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is JISYVKKTOCYCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O/c1-13-4-2-3-5-17(13)18-24-16(12-25-18)11-23-10-14-6-8-15(9-7-14)19(20,21)22/h2-9,12,23H,10-11H2,1H3.
What are the key properties of N-[[2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
N-[[2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 346.35 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 56669387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).