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

C22H16BrFN4O2 — CID 67197210

IUPAC2-(2-bromophenyl)-N-[3-(2-fluoro-5-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
SMILESCc1ccc(F)c(-c2noc(NC(=O)Cc3ccccc3Br)c2-c2ccncn2)c1
InChIInChI=1S/C22H16BrFN4O2/c1-13-6-7-17(24)15(10-13)21-20(18-8-9-25-12-26-18)22(30-28-21)27-19(29)11-14-4-2-3-5-16(14)23/h2-10,12H,11H2,1H3,(H,27,29)
InChIKeyUVAHIVNHJZAZBI-UHFFFAOYSA-N
MW467.30 g/mol
LogP5.19
Rot. Bonds5

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

2-(2-bromophenyl)-N-[3-(2-fluoro-5-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide (PubChem CID 67197210) has the molecular formula C22H16BrFN4O2 and a molecular weight of 467.30 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-[3-(2-fluoro-5-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-[3-(2-fluoro-5-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
PubChem CID67197210
Molecular FormulaC22H16BrFN4O2
Molecular Weight467.30 g/mol
Exact Mass466.04
IUPAC Name2-(2-bromophenyl)-N-[3-(2-fluoro-5-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
SMILESCc1ccc(F)c(-c2noc(NC(=O)Cc3ccccc3Br)c2-c2ccncn2)c1
InChIInChI=1S/C22H16BrFN4O2/c1-13-6-7-17(24)15(10-13)21-20(18-8-9-25-12-26-18)22(30-28-21)27-19(29)11-14-4-2-3-5-16(14)23/h2-10,12H,11H2,1H3,(H,27,29)
InChIKeyUVAHIVNHJZAZBI-UHFFFAOYSA-N
XLogP5.19
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.30
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Akp-001
CID 11626055
4-(5-Methyl-3-phenylisoxazol-4-yl)pyrimidin-2-amine
CID 2745721
N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-methylphenyl)acetamide
CID 11625524
2-(2-chlorophenyl)-N-[3-(3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 11654334
N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]acetamide
CID 2745748
2-(2-chlorophenyl)-N-[3-(2,4-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 11502801
2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 11640137
2-(2-chlorophenyl)-N-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 25005874
N-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53329882
3-(4-Fluorophenyl)-5-(phenylacetylamino)-4-(4-pyrimidinyl)isoxazole
CID 57467724
5-Amino-3-(4-fluorophenyl)-4-(4-pyrimidinyl)isoxazole
CID 57467725
N-[3-(2-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide
CID 67196472

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-[3-(2-fluoro-5-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
The IUPAC name of 2-(2-bromophenyl)-N-[3-(2-fluoro-5-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide (CID 67197210) is 2-(2-bromophenyl)-N-[3-(2-fluoro-5-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for 2-(2-bromophenyl)-N-[3-(2-fluoro-5-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for 2-(2-bromophenyl)-N-[3-(2-fluoro-5-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide is Cc1ccc(F)c(-c2noc(NC(=O)Cc3ccccc3Br)c2-c2ccncn2)c1.
What is the InChIKey of 2-(2-bromophenyl)-N-[3-(2-fluoro-5-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
The InChIKey is UVAHIVNHJZAZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrFN4O2/c1-13-6-7-17(24)15(10-13)21-20(18-8-9-25-12-26-18)22(30-28-21)27-19(29)11-14-4-2-3-5-16(14)23/h2-10,12H,11H2,1H3,(H,27,29).
What are the key properties of 2-(2-bromophenyl)-N-[3-(2-fluoro-5-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
2-(2-bromophenyl)-N-[3-(2-fluoro-5-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide has a molecular weight of 467.30 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N-[3-(2-fluoro-5-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 67197210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).