N-[4-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyrimidin-2-yl]acetamide

C16H11F3N4O2 — CID 2745751

IUPACN-[4-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1nccc(-c2cc(-c3cccc(C(F)(F)F)c3)no2)n1
InChIInChI=1S/C16H11F3N4O2/c1-9(24)21-15-20-6-5-12(22-15)14-8-13(23-25-14)10-3-2-4-11(7-10)16(17,18)19/h2-8H,1H3,(H,20,21,22,24)
InChIKeyCRHDIIYYWSVQIA-UHFFFAOYSA-N
MW348.28 g/mol
LogP3.78
Rot. Bonds3

About N-[4-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyrimidin-2-yl]acetamide

N-[4-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyrimidin-2-yl]acetamide (PubChem CID 2745751) has the molecular formula C16H11F3N4O2 and a molecular weight of 348.28 g/mol. Its IUPAC name is N-[4-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyrimidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyrimidin-2-yl]acetamide
PubChem CID2745751
Molecular FormulaC16H11F3N4O2
Molecular Weight348.28 g/mol
Exact Mass348.08
IUPAC NameN-[4-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1nccc(-c2cc(-c3cccc(C(F)(F)F)c3)no2)n1
InChIInChI=1S/C16H11F3N4O2/c1-9(24)21-15-20-6-5-12(22-15)14-8-13(23-25-14)10-3-2-4-11(7-10)16(17,18)19/h2-8H,1H3,(H,20,21,22,24)
InChIKeyCRHDIIYYWSVQIA-UHFFFAOYSA-N
XLogP3.78
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyrimidin-2-yl]acetamide?
The IUPAC name of N-[4-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyrimidin-2-yl]acetamide (CID 2745751) is N-[4-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyrimidin-2-yl]acetamide.
What is the SMILES notation for N-[4-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyrimidin-2-yl]acetamide?
The canonical SMILES for N-[4-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyrimidin-2-yl]acetamide is CC(=O)Nc1nccc(-c2cc(-c3cccc(C(F)(F)F)c3)no2)n1.
What is the InChIKey of N-[4-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyrimidin-2-yl]acetamide?
The InChIKey is CRHDIIYYWSVQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4O2/c1-9(24)21-15-20-6-5-12(22-15)14-8-13(23-25-14)10-3-2-4-11(7-10)16(17,18)19/h2-8H,1H3,(H,20,21,22,24).
What are the key properties of N-[4-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyrimidin-2-yl]acetamide?
N-[4-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyrimidin-2-yl]acetamide has a molecular weight of 348.28 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyrimidin-2-yl]acetamide is sourced from PubChem (CID 2745751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).