5-(pyrazol-1-ylmethyl)-N-[3-(2,2,2-trifluoroethylamino)phenyl]-1,2-oxazole-3-carboxamide

C16H14F3N5O2 — CID 146095770

IUPAC5-(pyrazol-1-ylmethyl)-N-[3-(2,2,2-trifluoroethylamino)phenyl]-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccc(NCC(F)(F)F)c1)c1cc(Cn2cccn2)on1
InChIInChI=1S/C16H14F3N5O2/c17-16(18,19)10-20-11-3-1-4-12(7-11)22-15(25)14-8-13(26-23-14)9-24-6-2-5-21-24/h1-8,20H,9-10H2,(H,22,25)
InChIKeyJFMFLIUEQZGMLH-UHFFFAOYSA-N
MW365.32 g/mol
LogP3.15
Rot. Bonds6

About 5-(pyrazol-1-ylmethyl)-N-[3-(2,2,2-trifluoroethylamino)phenyl]-1,2-oxazole-3-carboxamide

5-(pyrazol-1-ylmethyl)-N-[3-(2,2,2-trifluoroethylamino)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 146095770) has the molecular formula C16H14F3N5O2 and a molecular weight of 365.32 g/mol. Its IUPAC name is 5-(pyrazol-1-ylmethyl)-N-[3-(2,2,2-trifluoroethylamino)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(pyrazol-1-ylmethyl)-N-[3-(2,2,2-trifluoroethylamino)phenyl]-1,2-oxazole-3-carboxamide
PubChem CID146095770
Molecular FormulaC16H14F3N5O2
Molecular Weight365.32 g/mol
Exact Mass365.11
IUPAC Name5-(pyrazol-1-ylmethyl)-N-[3-(2,2,2-trifluoroethylamino)phenyl]-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccc(NCC(F)(F)F)c1)c1cc(Cn2cccn2)on1
InChIInChI=1S/C16H14F3N5O2/c17-16(18,19)10-20-11-3-1-4-12(7-11)22-15(25)14-8-13(26-23-14)9-24-6-2-5-21-24/h1-8,20H,9-10H2,(H,22,25)
InChIKeyJFMFLIUEQZGMLH-UHFFFAOYSA-N
XLogP3.15
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.32
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(pyrazol-1-ylmethyl)-N-[3-(2,2,2-trifluoroethylamino)phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(pyrazol-1-ylmethyl)-N-[3-(2,2,2-trifluoroethylamino)phenyl]-1,2-oxazole-3-carboxamide (CID 146095770) is 5-(pyrazol-1-ylmethyl)-N-[3-(2,2,2-trifluoroethylamino)phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(pyrazol-1-ylmethyl)-N-[3-(2,2,2-trifluoroethylamino)phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(pyrazol-1-ylmethyl)-N-[3-(2,2,2-trifluoroethylamino)phenyl]-1,2-oxazole-3-carboxamide is O=C(Nc1cccc(NCC(F)(F)F)c1)c1cc(Cn2cccn2)on1.
What is the InChIKey of 5-(pyrazol-1-ylmethyl)-N-[3-(2,2,2-trifluoroethylamino)phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is JFMFLIUEQZGMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5O2/c17-16(18,19)10-20-11-3-1-4-12(7-11)22-15(25)14-8-13(26-23-14)9-24-6-2-5-21-24/h1-8,20H,9-10H2,(H,22,25).
What are the key properties of 5-(pyrazol-1-ylmethyl)-N-[3-(2,2,2-trifluoroethylamino)phenyl]-1,2-oxazole-3-carboxamide?
5-(pyrazol-1-ylmethyl)-N-[3-(2,2,2-trifluoroethylamino)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 365.32 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyrazol-1-ylmethyl)-N-[3-(2,2,2-trifluoroethylamino)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 146095770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).