2-(3-methylphenyl)-N-(3-phenyl-4-pyrimidin-4-yl-1,2-oxazol-5-yl)acetamide

C22H18N4O2 — CID 67200807

IUPAC2-(3-methylphenyl)-N-(3-phenyl-4-pyrimidin-4-yl-1,2-oxazol-5-yl)acetamide
SMILESCc1cccc(CC(=O)Nc2onc(-c3ccccc3)c2-c2ccncn2)c1
InChIInChI=1S/C22H18N4O2/c1-15-6-5-7-16(12-15)13-19(27)25-22-20(18-10-11-23-14-24-18)21(26-28-22)17-8-3-2-4-9-17/h2-12,14H,13H2,1H3,(H,25,27)
InChIKeyQZHXEIFFDUBFMX-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.29
Rot. Bonds5

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

2-(3-methylphenyl)-N-(3-phenyl-4-pyrimidin-4-yl-1,2-oxazol-5-yl)acetamide (PubChem CID 67200807) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-(3-phenyl-4-pyrimidin-4-yl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-(3-phenyl-4-pyrimidin-4-yl-1,2-oxazol-5-yl)acetamide
PubChem CID67200807
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name2-(3-methylphenyl)-N-(3-phenyl-4-pyrimidin-4-yl-1,2-oxazol-5-yl)acetamide
SMILESCc1cccc(CC(=O)Nc2onc(-c3ccccc3)c2-c2ccncn2)c1
InChIInChI=1S/C22H18N4O2/c1-15-6-5-7-16(12-15)13-19(27)25-22-20(18-10-11-23-14-24-18)21(26-28-22)17-8-3-2-4-9-17/h2-12,14H,13H2,1H3,(H,25,27)
InChIKeyQZHXEIFFDUBFMX-UHFFFAOYSA-N
XLogP4.29
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide
CID 67198280
2-(2,3-difluorophenyl)-N-[3-(3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 69498294
2-phenyl-N-[4-pyrimidin-4-yl-3-(3,4,5-trifluorophenyl)-1,2-oxazol-5-yl]acetamide
CID 67196351
N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(3-fluorophenyl)acetamide
CID 67197551
N-[3-(3-bromophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(3-methoxyphenyl)acetamide
CID 67197265
N-[3-(2-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide
CID 67197593
N-[3-(4-chloro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-chlorophenyl)acetamide
CID 67194634
2-(2-fluorophenyl)-N-[3-(3-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 67194633
2-(2-chlorophenyl)-N-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 25005874
2-(2,5-dimethylphenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 67196038
N-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(3,5-dimethoxyphenyl)acetamide
CID 67198919
2-(2-chlorophenyl)-N-[3-(4-ethoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 67197839

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-(3-phenyl-4-pyrimidin-4-yl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of 2-(3-methylphenyl)-N-(3-phenyl-4-pyrimidin-4-yl-1,2-oxazol-5-yl)acetamide (CID 67200807) is 2-(3-methylphenyl)-N-(3-phenyl-4-pyrimidin-4-yl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for 2-(3-methylphenyl)-N-(3-phenyl-4-pyrimidin-4-yl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for 2-(3-methylphenyl)-N-(3-phenyl-4-pyrimidin-4-yl-1,2-oxazol-5-yl)acetamide is Cc1cccc(CC(=O)Nc2onc(-c3ccccc3)c2-c2ccncn2)c1.
What is the InChIKey of 2-(3-methylphenyl)-N-(3-phenyl-4-pyrimidin-4-yl-1,2-oxazol-5-yl)acetamide?
The InChIKey is QZHXEIFFDUBFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-15-6-5-7-16(12-15)13-19(27)25-22-20(18-10-11-23-14-24-18)21(26-28-22)17-8-3-2-4-9-17/h2-12,14H,13H2,1H3,(H,25,27).
What are the key properties of 2-(3-methylphenyl)-N-(3-phenyl-4-pyrimidin-4-yl-1,2-oxazol-5-yl)acetamide?
2-(3-methylphenyl)-N-(3-phenyl-4-pyrimidin-4-yl-1,2-oxazol-5-yl)acetamide has a molecular weight of 370.41 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-N-(3-phenyl-4-pyrimidin-4-yl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 67200807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).