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

C23H19FN4O2 — CID 11625524

IUPACN-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-methylphenyl)acetamide
SMILESCc1cc(-c2noc(NC(=O)Cc3ccccc3C)c2-c2ccncn2)ccc1F
InChIInChI=1S/C23H19FN4O2/c1-14-5-3-4-6-16(14)12-20(29)27-23-21(19-9-10-25-13-26-19)22(28-30-23)17-7-8-18(24)15(2)11-17/h3-11,13H,12H2,1-2H3,(H,27,29)
InChIKeyKGNQMDNYLTXCIM-UHFFFAOYSA-N
MW402.43 g/mol
LogP4.74
Rot. Bonds5

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

N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-methylphenyl)acetamide (PubChem CID 11625524) has the molecular formula C23H19FN4O2 and a molecular weight of 402.43 g/mol. Its IUPAC name is N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-methylphenyl)acetamide
PubChem CID11625524
Molecular FormulaC23H19FN4O2
Molecular Weight402.43 g/mol
Exact Mass402.15
IUPAC NameN-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-methylphenyl)acetamide
SMILESCc1cc(-c2noc(NC(=O)Cc3ccccc3C)c2-c2ccncn2)ccc1F
InChIInChI=1S/C23H19FN4O2/c1-14-5-3-4-6-16(14)12-20(29)27-23-21(19-9-10-25-13-26-19)22(28-30-23)17-7-8-18(24)15(2)11-17/h3-11,13H,12H2,1-2H3,(H,27,29)
InChIKeyKGNQMDNYLTXCIM-UHFFFAOYSA-N
XLogP4.74
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-methylphenyl)acetamide (CID 11625524) is N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-methylphenyl)acetamide is Cc1cc(-c2noc(NC(=O)Cc3ccccc3C)c2-c2ccncn2)ccc1F.
What is the InChIKey of N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-methylphenyl)acetamide?
The InChIKey is KGNQMDNYLTXCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2/c1-14-5-3-4-6-16(14)12-20(29)27-23-21(19-9-10-25-13-26-19)22(28-30-23)17-7-8-18(24)15(2)11-17/h3-11,13H,12H2,1-2H3,(H,27,29).
What are the key properties of N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-methylphenyl)acetamide?
N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-methylphenyl)acetamide has a molecular weight of 402.43 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 11625524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).