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

C16H13F3N2OS — CID 56665813

IUPACN-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
SMILESFC(F)(F)c1cccc(CNCc2coc(-c3cccs3)n2)c1
InChIInChI=1S/C16H13F3N2OS/c17-16(18,19)12-4-1-3-11(7-12)8-20-9-13-10-22-15(21-13)14-5-2-6-23-14/h1-7,10,20H,8-9H2
InChIKeyAPXHCGOICTUKST-UHFFFAOYSA-N
MW338.35 g/mol
LogP4.71
Rot. Bonds5

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

N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine (PubChem CID 56665813) has the molecular formula C16H13F3N2OS and a molecular weight of 338.35 g/mol. Its IUPAC name is N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
PubChem CID56665813
Molecular FormulaC16H13F3N2OS
Molecular Weight338.35 g/mol
Exact Mass338.07
IUPAC NameN-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
SMILESFC(F)(F)c1cccc(CNCc2coc(-c3cccs3)n2)c1
InChIInChI=1S/C16H13F3N2OS/c17-16(18,19)12-4-1-3-11(7-12)8-20-9-13-10-22-15(21-13)14-5-2-6-23-14/h1-7,10,20H,8-9H2
InChIKeyAPXHCGOICTUKST-UHFFFAOYSA-N
XLogP4.71
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine (CID 56665813) is N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine is FC(F)(F)c1cccc(CNCc2coc(-c3cccs3)n2)c1.
What is the InChIKey of N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is APXHCGOICTUKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2OS/c17-16(18,19)12-4-1-3-11(7-12)8-20-9-13-10-22-15(21-13)14-5-2-6-23-14/h1-7,10,20H,8-9H2.
What are the key properties of N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine?
N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 338.35 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 56665813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).