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

C23H19BrN4O2 — CID 67198546

IUPACN-[3-(3-bromophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2,5-dimethylphenyl)acetamide
SMILESCC(=O)N(c1cc(C)ccc1C)c1onc(-c2cccc(Br)c2)c1-c1ccncn1
InChIInChI=1S/C23H19BrN4O2/c1-14-7-8-15(2)20(11-14)28(16(3)29)23-21(19-9-10-25-13-26-19)22(27-30-23)17-5-4-6-18(24)12-17/h4-13H,1-3H3
InChIKeyWHQAYFYPPZXPJF-UHFFFAOYSA-N
MW463.34 g/mol
LogP5.86
Rot. Bonds4

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

N-[3-(3-bromophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2,5-dimethylphenyl)acetamide (PubChem CID 67198546) has the molecular formula C23H19BrN4O2 and a molecular weight of 463.34 g/mol. Its IUPAC name is N-[3-(3-bromophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(3-bromophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2,5-dimethylphenyl)acetamide
PubChem CID67198546
Molecular FormulaC23H19BrN4O2
Molecular Weight463.34 g/mol
Exact Mass462.07
IUPAC NameN-[3-(3-bromophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2,5-dimethylphenyl)acetamide
SMILESCC(=O)N(c1cc(C)ccc1C)c1onc(-c2cccc(Br)c2)c1-c1ccncn1
InChIInChI=1S/C23H19BrN4O2/c1-14-7-8-15(2)20(11-14)28(16(3)29)23-21(19-9-10-25-13-26-19)22(27-30-23)17-5-4-6-18(24)12-17/h4-13H,1-3H3
InChIKeyWHQAYFYPPZXPJF-UHFFFAOYSA-N
XLogP5.86
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.34
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-N-[3-(3,5-dichlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 67197420
N-[3-(3,5-dichlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-fluorophenyl)acetamide
CID 67196567
N-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(3,5-difluorophenyl)acetamide
CID 67199795
N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-thiophen-3-ylacetamide
CID 67197595
N-(2-chlorophenyl)-N-[3-(2,3-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 67198028
N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(3-propoxyphenyl)acetamide
CID 67196204
N-[3-(3-bromophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(3-methoxyphenyl)acetamide
CID 67197265
N-[3-(3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide
CID 67198280
N-[3-(3-bromophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 67198142
2-(3-methylphenyl)-N-(3-phenyl-4-pyrimidin-4-yl-1,2-oxazol-5-yl)acetamide
CID 67200807
N-[3-(2,4-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-N-(2-methylphenyl)propanamide
CID 69008553
2-(2,3-difluorophenyl)-N-[3-(3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 69498294

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-bromophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2,5-dimethylphenyl)acetamide?
The IUPAC name of N-[3-(3-bromophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2,5-dimethylphenyl)acetamide (CID 67198546) is N-[3-(3-bromophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for N-[3-(3-bromophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for N-[3-(3-bromophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2,5-dimethylphenyl)acetamide is CC(=O)N(c1cc(C)ccc1C)c1onc(-c2cccc(Br)c2)c1-c1ccncn1.
What is the InChIKey of N-[3-(3-bromophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2,5-dimethylphenyl)acetamide?
The InChIKey is WHQAYFYPPZXPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN4O2/c1-14-7-8-15(2)20(11-14)28(16(3)29)23-21(19-9-10-25-13-26-19)22(27-30-23)17-5-4-6-18(24)12-17/h4-13H,1-3H3.
What are the key properties of N-[3-(3-bromophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2,5-dimethylphenyl)acetamide?
N-[3-(3-bromophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 463.34 g/mol, XLogP of 5.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-bromophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 67198546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).