N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C14H15F3N6O — CID 133342141

IUPACN-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)(C)c1cnc(CNc2cc(C(F)(F)F)nc3ncnn23)o1
InChIInChI=1S/C14H15F3N6O/c1-13(2,3)9-5-19-11(24-9)6-18-10-4-8(14(15,16)17)22-12-20-7-21-23(10)12/h4-5,7,18H,6H2,1-3H3
InChIKeyRPCFBOJBOMDIIJ-UHFFFAOYSA-N
MW340.31 g/mol
LogP3.04
Rot. Bonds3

About N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133342141) has the molecular formula C14H15F3N6O and a molecular weight of 340.31 g/mol. Its IUPAC name is N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133342141
Molecular FormulaC14H15F3N6O
Molecular Weight340.31 g/mol
Exact Mass340.13
IUPAC NameN-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)(C)c1cnc(CNc2cc(C(F)(F)F)nc3ncnn23)o1
InChIInChI=1S/C14H15F3N6O/c1-13(2,3)9-5-19-11(24-9)6-18-10-4-8(14(15,16)17)22-12-20-7-21-23(10)12/h4-5,7,18H,6H2,1-3H3
InChIKeyRPCFBOJBOMDIIJ-UHFFFAOYSA-N
XLogP3.04
TPSA81.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133342141) is N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CC(C)(C)c1cnc(CNc2cc(C(F)(F)F)nc3ncnn23)o1.
What is the InChIKey of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is RPCFBOJBOMDIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N6O/c1-13(2,3)9-5-19-11(24-9)6-18-10-4-8(14(15,16)17)22-12-20-7-21-23(10)12/h4-5,7,18H,6H2,1-3H3.
What are the key properties of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 340.31 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133342141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).