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

C23H19FN4O3 — CID 67196191

IUPAC2-(2-fluorophenyl)-N-[3-(4-methoxy-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
SMILESCOc1ccc(-c2noc(NC(=O)Cc3ccccc3F)c2-c2ccncn2)cc1C
InChIInChI=1S/C23H19FN4O3/c1-14-11-16(7-8-19(14)30-2)22-21(18-9-10-25-13-26-18)23(31-28-22)27-20(29)12-15-5-3-4-6-17(15)24/h3-11,13H,12H2,1-2H3,(H,27,29)
InChIKeyJQKCGMUCIUBGAI-UHFFFAOYSA-N
MW418.43 g/mol
LogP4.44
Rot. Bonds6

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

2-(2-fluorophenyl)-N-[3-(4-methoxy-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide (PubChem CID 67196191) has the molecular formula C23H19FN4O3 and a molecular weight of 418.43 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[3-(4-methoxy-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[3-(4-methoxy-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
PubChem CID67196191
Molecular FormulaC23H19FN4O3
Molecular Weight418.43 g/mol
Exact Mass418.14
IUPAC Name2-(2-fluorophenyl)-N-[3-(4-methoxy-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
SMILESCOc1ccc(-c2noc(NC(=O)Cc3ccccc3F)c2-c2ccncn2)cc1C
InChIInChI=1S/C23H19FN4O3/c1-14-11-16(7-8-19(14)30-2)22-21(18-9-10-25-13-26-18)23(31-28-22)27-20(29)12-15-5-3-4-6-17(15)24/h3-11,13H,12H2,1-2H3,(H,27,29)
InChIKeyJQKCGMUCIUBGAI-UHFFFAOYSA-N
XLogP4.44
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[3-(4-methoxy-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[3-(4-methoxy-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide (CID 67196191) is 2-(2-fluorophenyl)-N-[3-(4-methoxy-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[3-(4-methoxy-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[3-(4-methoxy-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide is COc1ccc(-c2noc(NC(=O)Cc3ccccc3F)c2-c2ccncn2)cc1C.
What is the InChIKey of 2-(2-fluorophenyl)-N-[3-(4-methoxy-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
The InChIKey is JQKCGMUCIUBGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O3/c1-14-11-16(7-8-19(14)30-2)22-21(18-9-10-25-13-26-18)23(31-28-22)27-20(29)12-15-5-3-4-6-17(15)24/h3-11,13H,12H2,1-2H3,(H,27,29).
What are the key properties of 2-(2-fluorophenyl)-N-[3-(4-methoxy-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
2-(2-fluorophenyl)-N-[3-(4-methoxy-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide has a molecular weight of 418.43 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[3-(4-methoxy-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 67196191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).