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

C23H19FN4O4 — CID 67196340

IUPACN-[3-(2,3-dimethoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-fluorophenyl)acetamide
SMILESCOc1cccc(-c2noc(NC(=O)Cc3ccccc3F)c2-c2ccncn2)c1OC
InChIInChI=1S/C23H19FN4O4/c1-30-18-9-5-7-15(22(18)31-2)21-20(17-10-11-25-13-26-17)23(32-28-21)27-19(29)12-14-6-3-4-8-16(14)24/h3-11,13H,12H2,1-2H3,(H,27,29)
InChIKeyHNTZMTOSODDJMW-UHFFFAOYSA-N
MW434.43 g/mol
LogP4.14
Rot. Bonds7

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

N-[3-(2,3-dimethoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-fluorophenyl)acetamide (PubChem CID 67196340) has the molecular formula C23H19FN4O4 and a molecular weight of 434.43 g/mol. Its IUPAC name is N-[3-(2,3-dimethoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[3-(2,3-dimethoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-fluorophenyl)acetamide
PubChem CID67196340
Molecular FormulaC23H19FN4O4
Molecular Weight434.43 g/mol
Exact Mass434.14
IUPAC NameN-[3-(2,3-dimethoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-fluorophenyl)acetamide
SMILESCOc1cccc(-c2noc(NC(=O)Cc3ccccc3F)c2-c2ccncn2)c1OC
InChIInChI=1S/C23H19FN4O4/c1-30-18-9-5-7-15(22(18)31-2)21-20(17-10-11-25-13-26-17)23(32-28-21)27-19(29)12-14-6-3-4-8-16(14)24/h3-11,13H,12H2,1-2H3,(H,27,29)
InChIKeyHNTZMTOSODDJMW-UHFFFAOYSA-N
XLogP4.14
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.43
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-fluorophenyl)-N-[3-(3-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 67194633
N-[3-(2-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide
CID 67197593
N-[3-(2-fluoro-4-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-methylphenyl)acetamide
CID 67198100
2-(2,4-difluorophenyl)-N-[3-(2,4-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 67195580
2-(2-chlorophenyl)-N-[3-(2-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 67198674
2-(2,3-difluorophenyl)-N-[3-(3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 69498294
2-(2,5-dimethoxyphenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 67198800
2-(2-chlorophenyl)-N-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 25005874
2-phenyl-N-[4-pyrimidin-4-yl-3-(3,4,5-trifluorophenyl)-1,2-oxazol-5-yl]acetamide
CID 67196351
N-[3-(4-chloro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-chlorophenyl)acetamide
CID 67194634
N-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(3,5-dimethoxyphenyl)acetamide
CID 67198919
N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(3-fluorophenyl)acetamide
CID 67197551

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dimethoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-[3-(2,3-dimethoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-fluorophenyl)acetamide (CID 67196340) is N-[3-(2,3-dimethoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[3-(2,3-dimethoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[3-(2,3-dimethoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-fluorophenyl)acetamide is COc1cccc(-c2noc(NC(=O)Cc3ccccc3F)c2-c2ccncn2)c1OC.
What is the InChIKey of N-[3-(2,3-dimethoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-fluorophenyl)acetamide?
The InChIKey is HNTZMTOSODDJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O4/c1-30-18-9-5-7-15(22(18)31-2)21-20(17-10-11-25-13-26-17)23(32-28-21)27-19(29)12-14-6-3-4-8-16(14)24/h3-11,13H,12H2,1-2H3,(H,27,29).
What are the key properties of N-[3-(2,3-dimethoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-fluorophenyl)acetamide?
N-[3-(2,3-dimethoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-fluorophenyl)acetamide has a molecular weight of 434.43 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dimethoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 67196340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).