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

C19H17F3N2O2 — CID 56666311

IUPACN-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine
SMILESCc1cccc(-c2nc(CNCc3ccc(OC(F)(F)F)cc3)co2)c1
InChIInChI=1S/C19H17F3N2O2/c1-13-3-2-4-15(9-13)18-24-16(12-25-18)11-23-10-14-5-7-17(8-6-14)26-19(20,21)22/h2-9,12,23H,10-11H2,1H3
InChIKeyIQSDVAOWYCBESM-UHFFFAOYSA-N
MW362.35 g/mol
LogP4.84
Rot. Bonds6

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

N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine (PubChem CID 56666311) has the molecular formula C19H17F3N2O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound NameN-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine
PubChem CID56666311
Molecular FormulaC19H17F3N2O2
Molecular Weight362.35 g/mol
Exact Mass362.12
IUPAC NameN-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine
SMILESCc1cccc(-c2nc(CNCc3ccc(OC(F)(F)F)cc3)co2)c1
InChIInChI=1S/C19H17F3N2O2/c1-13-3-2-4-15(9-13)18-24-16(12-25-18)11-23-10-14-5-7-17(8-6-14)26-19(20,21)22/h2-9,12,23H,10-11H2,1H3
InChIKeyIQSDVAOWYCBESM-UHFFFAOYSA-N
XLogP4.84
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine (CID 56666311) is N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine is Cc1cccc(-c2nc(CNCc3ccc(OC(F)(F)F)cc3)co2)c1.
What is the InChIKey of N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is IQSDVAOWYCBESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2/c1-13-3-2-4-15(9-13)18-24-16(12-25-18)11-23-10-14-5-7-17(8-6-14)26-19(20,21)22/h2-9,12,23H,10-11H2,1H3.
What are the key properties of N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine?
N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 362.35 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 56666311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).