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

C21H13F3N4O2 — CID 67196351

IUPAC2-phenyl-N-[4-pyrimidin-4-yl-3-(3,4,5-trifluorophenyl)-1,2-oxazol-5-yl]acetamide
SMILESO=C(Cc1ccccc1)Nc1onc(-c2cc(F)c(F)c(F)c2)c1-c1ccncn1
InChIInChI=1S/C21H13F3N4O2/c22-14-9-13(10-15(23)19(14)24)20-18(16-6-7-25-11-26-16)21(30-28-20)27-17(29)8-12-4-2-1-3-5-12/h1-7,9-11H,8H2,(H,27,29)
InChIKeyGYGKDFYDJKTKGP-UHFFFAOYSA-N
MW410.36 g/mol
LogP4.40
Rot. Bonds5

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

2-phenyl-N-[4-pyrimidin-4-yl-3-(3,4,5-trifluorophenyl)-1,2-oxazol-5-yl]acetamide (PubChem CID 67196351) has the molecular formula C21H13F3N4O2 and a molecular weight of 410.36 g/mol. Its IUPAC name is 2-phenyl-N-[4-pyrimidin-4-yl-3-(3,4,5-trifluorophenyl)-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[4-pyrimidin-4-yl-3-(3,4,5-trifluorophenyl)-1,2-oxazol-5-yl]acetamide
PubChem CID67196351
Molecular FormulaC21H13F3N4O2
Molecular Weight410.36 g/mol
Exact Mass410.10
IUPAC Name2-phenyl-N-[4-pyrimidin-4-yl-3-(3,4,5-trifluorophenyl)-1,2-oxazol-5-yl]acetamide
SMILESO=C(Cc1ccccc1)Nc1onc(-c2cc(F)c(F)c(F)c2)c1-c1ccncn1
InChIInChI=1S/C21H13F3N4O2/c22-14-9-13(10-15(23)19(14)24)20-18(16-6-7-25-11-26-16)21(30-28-20)27-17(29)8-12-4-2-1-3-5-12/h1-7,9-11H,8H2,(H,27,29)
InChIKeyGYGKDFYDJKTKGP-UHFFFAOYSA-N
XLogP4.40
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.36
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[4-pyrimidin-4-yl-3-(3,4,5-trifluorophenyl)-1,2-oxazol-5-yl]acetamide?
The IUPAC name of 2-phenyl-N-[4-pyrimidin-4-yl-3-(3,4,5-trifluorophenyl)-1,2-oxazol-5-yl]acetamide (CID 67196351) is 2-phenyl-N-[4-pyrimidin-4-yl-3-(3,4,5-trifluorophenyl)-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for 2-phenyl-N-[4-pyrimidin-4-yl-3-(3,4,5-trifluorophenyl)-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for 2-phenyl-N-[4-pyrimidin-4-yl-3-(3,4,5-trifluorophenyl)-1,2-oxazol-5-yl]acetamide is O=C(Cc1ccccc1)Nc1onc(-c2cc(F)c(F)c(F)c2)c1-c1ccncn1.
What is the InChIKey of 2-phenyl-N-[4-pyrimidin-4-yl-3-(3,4,5-trifluorophenyl)-1,2-oxazol-5-yl]acetamide?
The InChIKey is GYGKDFYDJKTKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F3N4O2/c22-14-9-13(10-15(23)19(14)24)20-18(16-6-7-25-11-26-16)21(30-28-20)27-17(29)8-12-4-2-1-3-5-12/h1-7,9-11H,8H2,(H,27,29).
What are the key properties of 2-phenyl-N-[4-pyrimidin-4-yl-3-(3,4,5-trifluorophenyl)-1,2-oxazol-5-yl]acetamide?
2-phenyl-N-[4-pyrimidin-4-yl-3-(3,4,5-trifluorophenyl)-1,2-oxazol-5-yl]acetamide has a molecular weight of 410.36 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[4-pyrimidin-4-yl-3-(3,4,5-trifluorophenyl)-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 67196351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).