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

C23H19FN4O3 — CID 67198101

IUPACN-[3-(2-fluoro-4-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-methylphenyl)acetamide
SMILESCOc1ccc(-c2noc(N(C(C)=O)c3ccccc3C)c2-c2ccncn2)c(F)c1
InChIInChI=1S/C23H19FN4O3/c1-14-6-4-5-7-20(14)28(15(2)29)23-21(19-10-11-25-13-26-19)22(27-31-23)17-9-8-16(30-3)12-18(17)24/h4-13H,1-3H3
InChIKeyVOWMRHSLWZLPIH-UHFFFAOYSA-N
MW418.43 g/mol
LogP4.94
Rot. Bonds5

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

N-[3-(2-fluoro-4-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-methylphenyl)acetamide (PubChem CID 67198101) has the molecular formula C23H19FN4O3 and a molecular weight of 418.43 g/mol. Its IUPAC name is N-[3-(2-fluoro-4-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(2-fluoro-4-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-methylphenyl)acetamide
PubChem CID67198101
Molecular FormulaC23H19FN4O3
Molecular Weight418.43 g/mol
Exact Mass418.14
IUPAC NameN-[3-(2-fluoro-4-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-methylphenyl)acetamide
SMILESCOc1ccc(-c2noc(N(C(C)=O)c3ccccc3C)c2-c2ccncn2)c(F)c1
InChIInChI=1S/C23H19FN4O3/c1-14-6-4-5-7-20(14)28(15(2)29)23-21(19-10-11-25-13-26-19)22(27-31-23)17-9-8-16(30-3)12-18(17)24/h4-13H,1-3H3
InChIKeyVOWMRHSLWZLPIH-UHFFFAOYSA-N
XLogP4.94
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluoro-4-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of N-[3-(2-fluoro-4-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-methylphenyl)acetamide (CID 67198101) is N-[3-(2-fluoro-4-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[3-(2-fluoro-4-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for N-[3-(2-fluoro-4-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-methylphenyl)acetamide is COc1ccc(-c2noc(N(C(C)=O)c3ccccc3C)c2-c2ccncn2)c(F)c1.
What is the InChIKey of N-[3-(2-fluoro-4-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is VOWMRHSLWZLPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O3/c1-14-6-4-5-7-20(14)28(15(2)29)23-21(19-10-11-25-13-26-19)22(27-31-23)17-9-8-16(30-3)12-18(17)24/h4-13H,1-3H3.
What are the key properties of N-[3-(2-fluoro-4-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-methylphenyl)acetamide?
N-[3-(2-fluoro-4-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 418.43 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluoro-4-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 67198101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).