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

C21H12F4N4O2 — CID 67195580

IUPAC2-(2,4-difluorophenyl)-N-[3-(2,4-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
SMILESO=C(Cc1ccc(F)cc1F)Nc1onc(-c2ccc(F)cc2F)c1-c1ccncn1
InChIInChI=1S/C21H12F4N4O2/c22-12-2-1-11(15(24)8-12)7-18(30)28-21-19(17-5-6-26-10-27-17)20(29-31-21)14-4-3-13(23)9-16(14)25/h1-6,8-10H,7H2,(H,28,30)
InChIKeyQEQKHFBOVYYFAA-UHFFFAOYSA-N
MW428.35 g/mol
LogP4.54
Rot. Bonds5

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

2-(2,4-difluorophenyl)-N-[3-(2,4-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide (PubChem CID 67195580) has the molecular formula C21H12F4N4O2 and a molecular weight of 428.35 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-N-[3-(2,4-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-N-[3-(2,4-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
PubChem CID67195580
Molecular FormulaC21H12F4N4O2
Molecular Weight428.35 g/mol
Exact Mass428.09
IUPAC Name2-(2,4-difluorophenyl)-N-[3-(2,4-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
SMILESO=C(Cc1ccc(F)cc1F)Nc1onc(-c2ccc(F)cc2F)c1-c1ccncn1
InChIInChI=1S/C21H12F4N4O2/c22-12-2-1-11(15(24)8-12)7-18(30)28-21-19(17-5-6-26-10-27-17)20(29-31-21)14-4-3-13(23)9-16(14)25/h1-6,8-10H,7H2,(H,28,30)
InChIKeyQEQKHFBOVYYFAA-UHFFFAOYSA-N
XLogP4.54
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.35
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-N-[3-(2,4-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
The IUPAC name of 2-(2,4-difluorophenyl)-N-[3-(2,4-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide (CID 67195580) is 2-(2,4-difluorophenyl)-N-[3-(2,4-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)-N-[3-(2,4-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for 2-(2,4-difluorophenyl)-N-[3-(2,4-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide is O=C(Cc1ccc(F)cc1F)Nc1onc(-c2ccc(F)cc2F)c1-c1ccncn1.
What is the InChIKey of 2-(2,4-difluorophenyl)-N-[3-(2,4-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
The InChIKey is QEQKHFBOVYYFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12F4N4O2/c22-12-2-1-11(15(24)8-12)7-18(30)28-21-19(17-5-6-26-10-27-17)20(29-31-21)14-4-3-13(23)9-16(14)25/h1-6,8-10H,7H2,(H,28,30).
What are the key properties of 2-(2,4-difluorophenyl)-N-[3-(2,4-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
2-(2,4-difluorophenyl)-N-[3-(2,4-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide has a molecular weight of 428.35 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-N-[3-(2,4-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 67195580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).