N-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide

C22H16FN3O2 — CID 118706305

IUPACN-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1onc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C22H16FN3O2/c23-18-8-6-17(7-9-18)21-20(16-10-12-24-13-11-16)22(28-26-21)25-19(27)14-15-4-2-1-3-5-15/h1-13H,14H2,(H,25,27)
InChIKeyFBUXJPJWIZCTBZ-UHFFFAOYSA-N
MW373.39 g/mol
LogP4.72
Rot. Bonds5

About N-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide

N-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide (PubChem CID 118706305) has the molecular formula C22H16FN3O2 and a molecular weight of 373.39 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide
PubChem CID118706305
Molecular FormulaC22H16FN3O2
Molecular Weight373.39 g/mol
Exact Mass373.12
IUPAC NameN-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1onc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C22H16FN3O2/c23-18-8-6-17(7-9-18)21-20(16-10-12-24-13-11-16)22(28-26-21)25-19(27)14-15-4-2-1-3-5-15/h1-13H,14H2,(H,25,27)
InChIKeyFBUXJPJWIZCTBZ-UHFFFAOYSA-N
XLogP4.72
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Akp-001
CID 11626055
N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-methylphenyl)acetamide
CID 11625524
3-(4-Fluorophenyl)-4-pyridin-4-yl-1,2-oxazole
CID 9816180
N-(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-3-(pyridin-4-yl)isoxazol-5-yl)isobutyramide
CID 10140239
N-(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-3-isopropylisoxazol-5-yl)isonicotinamide
CID 10227245
2-(4-(5-Amino-3-(pyridin-4-yl)isoxazol-4-yl)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 10272495
2-(2-chlorophenyl)-N-[3-(2,4-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 11502801
2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 11640137
4-[3-(4-Fluorophenyl)-5-isopropylisoxazol-4-yl]pyridine
CID 16115351
5-methyl-6-phenyl-3-(pyridin-3-yl)isoxazolo[4,5-c]pyridin-4(5H)-one
CID 23579325
(S)-N1-(3-(isoquinolin-6-yl)isoxazol-5-yl)-3-(4-(trifluoromethyl)phenyl)propane-1,2-diamine
CID 46880293
3-(4-Fluorophenyl)-5-(phenylacetylamino)-4-(4-pyrimidinyl)isoxazole
CID 57467724

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide?
The IUPAC name of N-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide (CID 118706305) is N-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1onc(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of N-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide?
The InChIKey is FBUXJPJWIZCTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O2/c23-18-8-6-17(7-9-18)21-20(16-10-12-24-13-11-16)22(28-26-21)25-19(27)14-15-4-2-1-3-5-15/h1-13H,14H2,(H,25,27).
What are the key properties of N-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide?
N-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide has a molecular weight of 373.39 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide is sourced from PubChem (CID 118706305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).