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

C23H19FN4O3 — CID 67198268

IUPACN-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1N(C(C)=O)c1onc(-c2ccc(F)c(C)c2)c1-c1ccncn1
InChIInChI=1S/C23H19FN4O3/c1-14-12-16(8-9-17(14)24)22-21(18-10-11-25-13-26-18)23(31-27-22)28(15(2)29)19-6-4-5-7-20(19)30-3/h4-13H,1-3H3
InChIKeyXSLZJBDJQURIPQ-UHFFFAOYSA-N
MW418.43 g/mol
LogP4.94
Rot. Bonds5

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

N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-methoxyphenyl)acetamide (PubChem CID 67198268) has the molecular formula C23H19FN4O3 and a molecular weight of 418.43 g/mol. Its IUPAC name is N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-methoxyphenyl)acetamide
PubChem CID67198268
Molecular FormulaC23H19FN4O3
Molecular Weight418.43 g/mol
Exact Mass418.14
IUPAC NameN-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1N(C(C)=O)c1onc(-c2ccc(F)c(C)c2)c1-c1ccncn1
InChIInChI=1S/C23H19FN4O3/c1-14-12-16(8-9-17(14)24)22-21(18-10-11-25-13-26-18)23(31-27-22)28(15(2)29)19-6-4-5-7-20(19)30-3/h4-13H,1-3H3
InChIKeyXSLZJBDJQURIPQ-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-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-methoxyphenyl)acetamide (CID 67198268) is N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-methoxyphenyl)acetamide is COc1ccccc1N(C(C)=O)c1onc(-c2ccc(F)c(C)c2)c1-c1ccncn1.
What is the InChIKey of N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is XSLZJBDJQURIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O3/c1-14-12-16(8-9-17(14)24)22-21(18-10-11-25-13-26-18)23(31-27-22)28(15(2)29)19-6-4-5-7-20(19)30-3/h4-13H,1-3H3.
What are the key properties of N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-methoxyphenyl)acetamide?
N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-methoxyphenyl)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-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 67198268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).