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

C7H9F3N2O — CID 123495794

IUPACN-methyl-1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanamine
SMILESCNCc1nc(C)oc1C(F)(F)F
InChIInChI=1S/C7H9F3N2O/c1-4-12-5(3-11-2)6(13-4)7(8,9)10/h11H,3H2,1-2H3
InChIKeyMXRSMDVUZSHVCQ-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.72
Rot. Bonds2

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

N-methyl-1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanamine (PubChem CID 123495794) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is N-methyl-1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanamine
PubChem CID123495794
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC NameN-methyl-1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanamine
SMILESCNCc1nc(C)oc1C(F)(F)F
InChIInChI=1S/C7H9F3N2O/c1-4-12-5(3-11-2)6(13-4)7(8,9)10/h11H,3H2,1-2H3
InChIKeyMXRSMDVUZSHVCQ-UHFFFAOYSA-N
XLogP1.72
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanamine (CID 123495794) is N-methyl-1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanamine is CNCc1nc(C)oc1C(F)(F)F.
What is the InChIKey of N-methyl-1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanamine?
The InChIKey is MXRSMDVUZSHVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O/c1-4-12-5(3-11-2)6(13-4)7(8,9)10/h11H,3H2,1-2H3.
What are the key properties of N-methyl-1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanamine?
N-methyl-1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanamine has a molecular weight of 194.16 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanamine is sourced from PubChem (CID 123495794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).