N-[3-(2,6-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide

C21H14F2N4O2 — CID 67198791

IUPACN-[3-(2,6-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1onc(-c2c(F)cccc2F)c1-c1ccncn1
InChIInChI=1S/C21H14F2N4O2/c22-14-7-4-8-15(23)18(14)20-19(16-9-10-24-12-25-16)21(29-27-20)26-17(28)11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H,26,28)
InChIKeyHOBYZKRTXSATAJ-UHFFFAOYSA-N
MW392.37 g/mol
LogP4.26
Rot. Bonds5

About N-[3-(2,6-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide

N-[3-(2,6-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide (PubChem CID 67198791) has the molecular formula C21H14F2N4O2 and a molecular weight of 392.37 g/mol. Its IUPAC name is N-[3-(2,6-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-(2,6-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide
PubChem CID67198791
Molecular FormulaC21H14F2N4O2
Molecular Weight392.37 g/mol
Exact Mass392.11
IUPAC NameN-[3-(2,6-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1onc(-c2c(F)cccc2F)c1-c1ccncn1
InChIInChI=1S/C21H14F2N4O2/c22-14-7-4-8-15(23)18(14)20-19(16-9-10-24-12-25-16)21(29-27-20)26-17(28)11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H,26,28)
InChIKeyHOBYZKRTXSATAJ-UHFFFAOYSA-N
XLogP4.26
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.37
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide?
The IUPAC name of N-[3-(2,6-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide (CID 67198791) is N-[3-(2,6-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide.
What is the SMILES notation for N-[3-(2,6-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide?
The canonical SMILES for N-[3-(2,6-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1onc(-c2c(F)cccc2F)c1-c1ccncn1.
What is the InChIKey of N-[3-(2,6-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide?
The InChIKey is HOBYZKRTXSATAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N4O2/c22-14-7-4-8-15(23)18(14)20-19(16-9-10-24-12-25-16)21(29-27-20)26-17(28)11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H,26,28).
What are the key properties of N-[3-(2,6-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide?
N-[3-(2,6-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide has a molecular weight of 392.37 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide is sourced from PubChem (CID 67198791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).