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

C22H17FN4O3 — CID 67194633

IUPAC2-(2-fluorophenyl)-N-[3-(3-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
SMILESCOc1cccc(-c2noc(NC(=O)Cc3ccccc3F)c2-c2ccncn2)c1
InChIInChI=1S/C22H17FN4O3/c1-29-16-7-4-6-15(11-16)21-20(18-9-10-24-13-25-18)22(30-27-21)26-19(28)12-14-5-2-3-8-17(14)23/h2-11,13H,12H2,1H3,(H,26,28)
InChIKeyXLLCOBUGBGETOK-UHFFFAOYSA-N
MW404.40 g/mol
LogP4.13
Rot. Bonds6

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

2-(2-fluorophenyl)-N-[3-(3-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide (PubChem CID 67194633) has the molecular formula C22H17FN4O3 and a molecular weight of 404.40 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[3-(3-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[3-(3-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
PubChem CID67194633
Molecular FormulaC22H17FN4O3
Molecular Weight404.40 g/mol
Exact Mass404.13
IUPAC Name2-(2-fluorophenyl)-N-[3-(3-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
SMILESCOc1cccc(-c2noc(NC(=O)Cc3ccccc3F)c2-c2ccncn2)c1
InChIInChI=1S/C22H17FN4O3/c1-29-16-7-4-6-15(11-16)21-20(18-9-10-24-13-25-18)22(30-27-21)26-19(28)12-14-5-2-3-8-17(14)23/h2-11,13H,12H2,1H3,(H,26,28)
InChIKeyXLLCOBUGBGETOK-UHFFFAOYSA-N
XLogP4.13
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 54.13
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-(3-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[3-(3-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide (CID 67194633) is 2-(2-fluorophenyl)-N-[3-(3-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[3-(3-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[3-(3-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide is COc1cccc(-c2noc(NC(=O)Cc3ccccc3F)c2-c2ccncn2)c1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[3-(3-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
The InChIKey is XLLCOBUGBGETOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O3/c1-29-16-7-4-6-15(11-16)21-20(18-9-10-24-13-25-18)22(30-27-21)26-19(28)12-14-5-2-3-8-17(14)23/h2-11,13H,12H2,1H3,(H,26,28).
What are the key properties of 2-(2-fluorophenyl)-N-[3-(3-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
2-(2-fluorophenyl)-N-[3-(3-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide has a molecular weight of 404.40 g/mol, XLogP of 4.13, 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-(3-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 67194633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).