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

C22H16F2N4O2 — CID 69498294

IUPAC2-(2,3-difluorophenyl)-N-[3-(3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
SMILESCc1cccc(-c2noc(NC(=O)Cc3cccc(F)c3F)c2-c2ccncn2)c1
InChIInChI=1S/C22H16F2N4O2/c1-13-4-2-6-15(10-13)21-19(17-8-9-25-12-26-17)22(30-28-21)27-18(29)11-14-5-3-7-16(23)20(14)24/h2-10,12H,11H2,1H3,(H,27,29)
InChIKeyUFBHDGAMVXAADQ-UHFFFAOYSA-N
MW406.39 g/mol
LogP4.57
Rot. Bonds5

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

2-(2,3-difluorophenyl)-N-[3-(3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide (PubChem CID 69498294) has the molecular formula C22H16F2N4O2 and a molecular weight of 406.39 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-N-[3-(3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-N-[3-(3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
PubChem CID69498294
Molecular FormulaC22H16F2N4O2
Molecular Weight406.39 g/mol
Exact Mass406.12
IUPAC Name2-(2,3-difluorophenyl)-N-[3-(3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
SMILESCc1cccc(-c2noc(NC(=O)Cc3cccc(F)c3F)c2-c2ccncn2)c1
InChIInChI=1S/C22H16F2N4O2/c1-13-4-2-6-15(10-13)21-19(17-8-9-25-12-26-17)22(30-28-21)27-18(29)11-14-5-3-7-16(23)20(14)24/h2-10,12H,11H2,1H3,(H,27,29)
InChIKeyUFBHDGAMVXAADQ-UHFFFAOYSA-N
XLogP4.57
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.39
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-N-[3-(3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
The IUPAC name of 2-(2,3-difluorophenyl)-N-[3-(3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide (CID 69498294) is 2-(2,3-difluorophenyl)-N-[3-(3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for 2-(2,3-difluorophenyl)-N-[3-(3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for 2-(2,3-difluorophenyl)-N-[3-(3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide is Cc1cccc(-c2noc(NC(=O)Cc3cccc(F)c3F)c2-c2ccncn2)c1.
What is the InChIKey of 2-(2,3-difluorophenyl)-N-[3-(3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
The InChIKey is UFBHDGAMVXAADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N4O2/c1-13-4-2-6-15(10-13)21-19(17-8-9-25-12-26-17)22(30-28-21)27-18(29)11-14-5-3-7-16(23)20(14)24/h2-10,12H,11H2,1H3,(H,27,29).
What are the key properties of 2-(2,3-difluorophenyl)-N-[3-(3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
2-(2,3-difluorophenyl)-N-[3-(3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide has a molecular weight of 406.39 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-N-[3-(3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 69498294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).