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

C22H16F2N4O3 — CID 67199326

IUPACN-[3-(2-fluoro-4-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-fluorophenyl)acetamide
SMILESCOc1ccc(-c2noc(N(C(C)=O)c3ccccc3F)c2-c2ccncn2)c(F)c1
InChIInChI=1S/C22H16F2N4O3/c1-13(29)28(19-6-4-3-5-16(19)23)22-20(18-9-10-25-12-26-18)21(27-31-22)15-8-7-14(30-2)11-17(15)24/h3-12H,1-2H3
InChIKeyTZCXEASKMGXCCK-UHFFFAOYSA-N
MW422.39 g/mol
LogP4.77
Rot. Bonds5

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

N-[3-(2-fluoro-4-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 67199326) has the molecular formula C22H16F2N4O3 and a molecular weight of 422.39 g/mol. Its IUPAC name is N-[3-(2-fluoro-4-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[3-(2-fluoro-4-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-fluorophenyl)acetamide
PubChem CID67199326
Molecular FormulaC22H16F2N4O3
Molecular Weight422.39 g/mol
Exact Mass422.12
IUPAC NameN-[3-(2-fluoro-4-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-fluorophenyl)acetamide
SMILESCOc1ccc(-c2noc(N(C(C)=O)c3ccccc3F)c2-c2ccncn2)c(F)c1
InChIInChI=1S/C22H16F2N4O3/c1-13(29)28(19-6-4-3-5-16(19)23)22-20(18-9-10-25-12-26-18)21(27-31-22)15-8-7-14(30-2)11-17(15)24/h3-12H,1-2H3
InChIKeyTZCXEASKMGXCCK-UHFFFAOYSA-N
XLogP4.77
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.39
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-Methoxyphenyl)-N-(2-morpholinopyrimidin-4-yl)isoxazol-5-amine
CID 146018837
N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-methylphenyl)acetamide
CID 11625524
N-[2-methyl-5-(pyrrolidin-1-ylmethyl)phenyl]-4-[[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide
CID 76325055
2-Methoxy-6-phenyl-3-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]pyridine
CID 663734
3-(2-Methoxy-6-(4-methoxyphenyl)pyridin-3-yl)-5-phenyl-1,2,4-oxadiazole
CID 664083
3-[5-(2-Fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxy-6-(4-methoxyphenyl)pyridine
CID 2021036
N-{4-[5-(4-methoxybenzyl)-1,2,4-oxadiazol-3-yl]phenyl}nicotinamide
CID 3242078
2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(3-methyl-1,2-oxazol-5-yl)phenyl]pyrimidin-4-amine
CID 11495368
7-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5,6-dihydro-4H-[1,2]oxazolo[5,4-b]pyridine
CID 53316729
7-[(1S)-1-(4-fluorophenyl)propyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5,6-dihydro-4H-[1,2]oxazolo[5,4-b]pyridine
CID 53319364
7-[(1S)-1-(3,5-difluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5,6-dihydro-4H-[1,2]oxazolo[5,4-b]pyridine
CID 53319365
3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(3,4,5-trifluorophenyl)ethyl]-5,6-dihydro-4H-[1,2]oxazolo[5,4-b]pyridine
CID 53323321

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-fluorophenyl)acetamide?
The IUPAC name of N-[3-(2-fluoro-4-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-fluorophenyl)acetamide (CID 67199326) is N-[3-(2-fluoro-4-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[3-(2-fluoro-4-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[3-(2-fluoro-4-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-fluorophenyl)acetamide is COc1ccc(-c2noc(N(C(C)=O)c3ccccc3F)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-fluorophenyl)acetamide?
The InChIKey is TZCXEASKMGXCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N4O3/c1-13(29)28(19-6-4-3-5-16(19)23)22-20(18-9-10-25-12-26-18)21(27-31-22)15-8-7-14(30-2)11-17(15)24/h3-12H,1-2H3.
What are the key properties of N-[3-(2-fluoro-4-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-fluorophenyl)acetamide?
N-[3-(2-fluoro-4-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 422.39 g/mol, XLogP of 4.77, 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-fluorophenyl)acetamide is sourced from PubChem (CID 67199326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).