2,2,2-trifluoro-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine

C14H20F3N5O — CID 71914308

IUPAC2,2,2-trifluoro-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCCCc1noc(CNC(c2c(C)nn(C)c2C)C(F)(F)F)n1
InChIInChI=1S/C14H20F3N5O/c1-5-6-10-19-11(23-21-10)7-18-13(14(15,16)17)12-8(2)20-22(4)9(12)3/h13,18H,5-7H2,1-4H3
InChIKeyZBHVZXAOAVLJCY-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.77
Rot. Bonds6

About 2,2,2-trifluoro-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine

2,2,2-trifluoro-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine (PubChem CID 71914308) has the molecular formula C14H20F3N5O and a molecular weight of 331.34 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
PubChem CID71914308
Molecular FormulaC14H20F3N5O
Molecular Weight331.34 g/mol
Exact Mass331.16
IUPAC Name2,2,2-trifluoro-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCCCc1noc(CNC(c2c(C)nn(C)c2C)C(F)(F)F)n1
InChIInChI=1S/C14H20F3N5O/c1-5-6-10-19-11(23-21-10)7-18-13(14(15,16)17)12-8(2)20-22(4)9(12)3/h13,18H,5-7H2,1-4H3
InChIKeyZBHVZXAOAVLJCY-UHFFFAOYSA-N
XLogP2.77
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine (CID 71914308) is 2,2,2-trifluoro-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine is CCCc1noc(CNC(c2c(C)nn(C)c2C)C(F)(F)F)n1.
What is the InChIKey of 2,2,2-trifluoro-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The InChIKey is ZBHVZXAOAVLJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N5O/c1-5-6-10-19-11(23-21-10)7-18-13(14(15,16)17)12-8(2)20-22(4)9(12)3/h13,18H,5-7H2,1-4H3.
What are the key properties of 2,2,2-trifluoro-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
2,2,2-trifluoro-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine has a molecular weight of 331.34 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 71914308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).