3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide

C22H18ClFN4O2 — CID 112807675

IUPAC3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide
SMILESCc1cc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C22H18ClFN4O2/c1-14-12-20(28(27-14)18-8-6-17(24)7-9-18)26-21(29)10-11-22-25-13-19(30-22)15-2-4-16(23)5-3-15/h2-9,12-13H,10-11H2,1H3,(H,26,29)
InChIKeyXAYHDFSDEMDGJP-UHFFFAOYSA-N
MW424.86 g/mol
LogP5.20
Rot. Bonds6

About 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide

3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide (PubChem CID 112807675) has the molecular formula C22H18ClFN4O2 and a molecular weight of 424.86 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide
PubChem CID112807675
Molecular FormulaC22H18ClFN4O2
Molecular Weight424.86 g/mol
Exact Mass424.11
IUPAC Name3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide
SMILESCc1cc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C22H18ClFN4O2/c1-14-12-20(28(27-14)18-8-6-17(24)7-9-18)26-21(29)10-11-22-25-13-19(30-22)15-2-4-16(23)5-3-15/h2-9,12-13H,10-11H2,1H3,(H,26,29)
InChIKeyXAYHDFSDEMDGJP-UHFFFAOYSA-N
XLogP5.20
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.86
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]propanamide
CID 55519281
N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 55520511
N-(2,5-dichlorophenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 51511272
N-[5-chloro-2-(dimethylamino)phenyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 55499098
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-methylphenyl)propanamide
CID 16590390
N-(3,4-dichlorophenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590384
4-chloro-N-[4-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-4-oxobutyl]benzamide
CID 112805744
N-(2,4-dimethylphenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 17438164
N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 60555410
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methylphenyl)propanamide
CID 16590316
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 16593744
N-(5-fluoro-2-methylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 41356754

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide?
The IUPAC name of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide (CID 112807675) is 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide.
What is the SMILES notation for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide?
The canonical SMILES for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide is Cc1cc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)n(-c2ccc(F)cc2)n1.
What is the InChIKey of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide?
The InChIKey is XAYHDFSDEMDGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN4O2/c1-14-12-20(28(27-14)18-8-6-17(24)7-9-18)26-21(29)10-11-22-25-13-19(30-22)15-2-4-16(23)5-3-15/h2-9,12-13H,10-11H2,1H3,(H,26,29).
What are the key properties of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide?
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide has a molecular weight of 424.86 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide is sourced from PubChem (CID 112807675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).