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

C7H9F3N2O — CID 127017244

IUPAC[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-oxazol-5-yl]methanamine
SMILESCc1nc(CC(F)(F)F)oc1CN
InChIInChI=1S/C7H9F3N2O/c1-4-5(3-11)13-6(12-4)2-7(8,9)10/h2-3,11H2,1H3
InChIKeyPGUUVHYERIINQW-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.55
Rot. Bonds2

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

[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-oxazol-5-yl]methanamine (PubChem CID 127017244) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is [4-methyl-2-(2,2,2-trifluoroethyl)-1,3-oxazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-oxazol-5-yl]methanamine
PubChem CID127017244
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-oxazol-5-yl]methanamine
SMILESCc1nc(CC(F)(F)F)oc1CN
InChIInChI=1S/C7H9F3N2O/c1-4-5(3-11)13-6(12-4)2-7(8,9)10/h2-3,11H2,1H3
InChIKeyPGUUVHYERIINQW-UHFFFAOYSA-N
XLogP1.55
TPSA52.05 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 ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(2,2,2-trifluoroethyl)-1,3-oxazol-5-yl]methanamine?
The IUPAC name of [4-methyl-2-(2,2,2-trifluoroethyl)-1,3-oxazol-5-yl]methanamine (CID 127017244) is [4-methyl-2-(2,2,2-trifluoroethyl)-1,3-oxazol-5-yl]methanamine.
What is the SMILES notation for [4-methyl-2-(2,2,2-trifluoroethyl)-1,3-oxazol-5-yl]methanamine?
The canonical SMILES for [4-methyl-2-(2,2,2-trifluoroethyl)-1,3-oxazol-5-yl]methanamine is Cc1nc(CC(F)(F)F)oc1CN.
What is the InChIKey of [4-methyl-2-(2,2,2-trifluoroethyl)-1,3-oxazol-5-yl]methanamine?
The InChIKey is PGUUVHYERIINQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O/c1-4-5(3-11)13-6(12-4)2-7(8,9)10/h2-3,11H2,1H3.
What are the key properties of [4-methyl-2-(2,2,2-trifluoroethyl)-1,3-oxazol-5-yl]methanamine?
[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-oxazol-5-yl]methanamine has a molecular weight of 194.16 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(2,2,2-trifluoroethyl)-1,3-oxazol-5-yl]methanamine is sourced from PubChem (CID 127017244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).