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

C22H17FN4O3 — CID 67194630

IUPACN-(2-fluorophenyl)-N-[3-(3-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
SMILESCOc1cccc(-c2noc(N(C(C)=O)c3ccccc3F)c2-c2ccncn2)c1
InChIInChI=1S/C22H17FN4O3/c1-14(28)27(19-9-4-3-8-17(19)23)22-20(18-10-11-24-13-25-18)21(26-30-22)15-6-5-7-16(12-15)29-2/h3-13H,1-2H3
InChIKeyUXZGOAMBXKUAAZ-UHFFFAOYSA-N
MW404.40 g/mol
LogP4.63
Rot. Bonds5

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

N-(2-fluorophenyl)-N-[3-(3-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide (PubChem CID 67194630) has the molecular formula C22H17FN4O3 and a molecular weight of 404.40 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N-[3-(3-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N-[3-(3-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
PubChem CID67194630
Molecular FormulaC22H17FN4O3
Molecular Weight404.40 g/mol
Exact Mass404.13
IUPAC NameN-(2-fluorophenyl)-N-[3-(3-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
SMILESCOc1cccc(-c2noc(N(C(C)=O)c3ccccc3F)c2-c2ccncn2)c1
InChIInChI=1S/C22H17FN4O3/c1-14(28)27(19-9-4-3-8-17(19)23)22-20(18-10-11-24-13-25-18)21(26-30-22)15-6-5-7-16(12-15)29-2/h3-13H,1-2H3
InChIKeyUXZGOAMBXKUAAZ-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-(2-fluorophenyl)-N-[3-(3-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-N-[3-(3-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide (CID 67194630) is N-(2-fluorophenyl)-N-[3-(3-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-N-[3-(3-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-N-[3-(3-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide is COc1cccc(-c2noc(N(C(C)=O)c3ccccc3F)c2-c2ccncn2)c1.
What is the InChIKey of N-(2-fluorophenyl)-N-[3-(3-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
The InChIKey is UXZGOAMBXKUAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O3/c1-14(28)27(19-9-4-3-8-17(19)23)22-20(18-10-11-24-13-25-18)21(26-30-22)15-6-5-7-16(12-15)29-2/h3-13H,1-2H3.
What are the key properties of N-(2-fluorophenyl)-N-[3-(3-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
N-(2-fluorophenyl)-N-[3-(3-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]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-(2-fluorophenyl)-N-[3-(3-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 67194630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).