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

C6H7F3N2O — CID 82409257

IUPAC[4-methyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]methanamine
SMILESCc1nc(CN)oc1C(F)(F)F
InChIInChI=1S/C6H7F3N2O/c1-3-5(6(7,8)9)12-4(2-10)11-3/h2,10H2,1H3
InChIKeyUUIBOYZLYJBDIC-UHFFFAOYSA-N
MW180.13 g/mol
LogP1.46
Rot. Bonds1

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

[4-methyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]methanamine (PubChem CID 82409257) has the molecular formula C6H7F3N2O and a molecular weight of 180.13 g/mol. Its IUPAC name is [4-methyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]methanamine
PubChem CID82409257
Molecular FormulaC6H7F3N2O
Molecular Weight180.13 g/mol
Exact Mass180.05
IUPAC Name[4-methyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]methanamine
SMILESCc1nc(CN)oc1C(F)(F)F
InChIInChI=1S/C6H7F3N2O/c1-3-5(6(7,8)9)12-4(2-10)11-3/h2,10H2,1H3
InChIKeyUUIBOYZLYJBDIC-UHFFFAOYSA-N
XLogP1.46
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]methanamine?
The IUPAC name of [4-methyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]methanamine (CID 82409257) is [4-methyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]methanamine.
What is the SMILES notation for [4-methyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]methanamine?
The canonical SMILES for [4-methyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]methanamine is Cc1nc(CN)oc1C(F)(F)F.
What is the InChIKey of [4-methyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]methanamine?
The InChIKey is UUIBOYZLYJBDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2O/c1-3-5(6(7,8)9)12-4(2-10)11-3/h2,10H2,1H3.
What are the key properties of [4-methyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]methanamine?
[4-methyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]methanamine has a molecular weight of 180.13 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]methanamine is sourced from PubChem (CID 82409257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).