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

C22H17FN4O3 — CID 67197183

IUPACN-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1N(C(C)=O)c1onc(-c2ccc(F)cc2)c1-c1ccncn1
InChIInChI=1S/C22H17FN4O3/c1-14(28)27(18-5-3-4-6-19(18)29-2)22-20(17-11-12-24-13-25-17)21(26-30-22)15-7-9-16(23)10-8-15/h3-13H,1-2H3
InChIKeyNLSQBSJDKADSML-UHFFFAOYSA-N
MW404.40 g/mol
LogP4.63
Rot. Bonds5

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

N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-methoxyphenyl)acetamide (PubChem CID 67197183) has the molecular formula C22H17FN4O3 and a molecular weight of 404.40 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-methoxyphenyl)acetamide
PubChem CID67197183
Molecular FormulaC22H17FN4O3
Molecular Weight404.40 g/mol
Exact Mass404.13
IUPAC NameN-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1N(C(C)=O)c1onc(-c2ccc(F)cc2)c1-c1ccncn1
InChIInChI=1S/C22H17FN4O3/c1-14(28)27(18-5-3-4-6-19(18)29-2)22-20(17-11-12-24-13-25-17)21(26-30-22)15-7-9-16(23)10-8-15/h3-13H,1-2H3
InChIKeyNLSQBSJDKADSML-UHFFFAOYSA-N
XLogP4.63
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-methoxyphenyl)acetamide (CID 67197183) is N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-methoxyphenyl)acetamide is COc1ccccc1N(C(C)=O)c1onc(-c2ccc(F)cc2)c1-c1ccncn1.
What is the InChIKey of N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is NLSQBSJDKADSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O3/c1-14(28)27(18-5-3-4-6-19(18)29-2)22-20(17-11-12-24-13-25-17)21(26-30-22)15-7-9-16(23)10-8-15/h3-13H,1-2H3.
What are the key properties of N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-methoxyphenyl)acetamide?
N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 404.40 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 67197183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).