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

C13H13F3N2O — CID 103738802

IUPACN-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESCc1cnc(CNCc2ccccc2C(F)(F)F)o1
InChIInChI=1S/C13H13F3N2O/c1-9-6-18-12(19-9)8-17-7-10-4-2-3-5-11(10)13(14,15)16/h2-6,17H,7-8H2,1H3
InChIKeyLTHWUKQRFJQARL-UHFFFAOYSA-N
MW270.25 g/mol
LogP3.29
Rot. Bonds4

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

N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine (PubChem CID 103738802) has the molecular formula C13H13F3N2O and a molecular weight of 270.25 g/mol. Its IUPAC name is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
PubChem CID103738802
Molecular FormulaC13H13F3N2O
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESCc1cnc(CNCc2ccccc2C(F)(F)F)o1
InChIInChI=1S/C13H13F3N2O/c1-9-6-18-12(19-9)8-17-7-10-4-2-3-5-11(10)13(14,15)16/h2-6,17H,7-8H2,1H3
InChIKeyLTHWUKQRFJQARL-UHFFFAOYSA-N
XLogP3.29
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-phenylmethanamine
CID 103738795
1-(2-methoxy-3-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 114180399
N-[(3,5-dimethylphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 62048755
1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine;hydrochloride
CID 17332531
N-[(2,6-difluorophenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 62049514
N-[[5-(2-methylphenyl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 53272583
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(1H-pyrrol-2-yl)methanamine
CID 103578837
1-pyridin-3-yl-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 18778355
1-(1,2-oxazol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 79494954
N-[(2-methoxyphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine;hydrobromide
CID 75531292
1-(3-chloro-2-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 115656735
1-(3,5-difluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275502

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine (CID 103738802) is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine is Cc1cnc(CNCc2ccccc2C(F)(F)F)o1.
What is the InChIKey of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is LTHWUKQRFJQARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O/c1-9-6-18-12(19-9)8-17-7-10-4-2-3-5-11(10)13(14,15)16/h2-6,17H,7-8H2,1H3.
What are the key properties of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine?
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 270.25 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 103738802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).