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

C22H23FN2O2 — CID 16592021

IUPACN-(4-butan-2-ylphenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESCCC(C)c1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C22H23FN2O2/c1-3-15(2)16-6-10-19(11-7-16)25-21(26)12-13-22-24-14-20(27-22)17-4-8-18(23)9-5-17/h4-11,14-15H,3,12-13H2,1-2H3,(H,25,26)
InChIKeyOLBKWCWWDLTTEA-UHFFFAOYSA-N
MW366.44 g/mol
LogP5.57
Rot. Bonds7

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

N-(4-butan-2-ylphenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 16592021) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID16592021
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC NameN-(4-butan-2-ylphenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESCCC(C)c1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C22H23FN2O2/c1-3-15(2)16-6-10-19(11-7-16)25-21(26)12-13-22-24-14-20(27-22)17-4-8-18(23)9-5-17/h4-11,14-15H,3,12-13H2,1-2H3,(H,25,26)
InChIKeyOLBKWCWWDLTTEA-UHFFFAOYSA-N
XLogP5.57
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.44
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide
CID 55802153
4-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-methylbenzamide
CID 16598099
N-[4-(diethylamino)phenyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784918
N-[1-(4-fluorophenyl)-2-methylpropyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 46691167
N-(3,4-dichlorophenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590384
N-[4-[1-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 43058094
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 30257663
N-(3,4-dimethylphenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784923
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methoxyphenyl)propanamide
CID 17437982
2-methyl-N-[4-[3-(5-phenyl-1,3-oxazol-2-yl)propanoylamino]phenyl]propanamide
CID 41355513
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-methoxyphenyl)propyl]propanamide
CID 51312428
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-methylphenyl)propanamide
CID 16590390

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylphenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-(4-butan-2-ylphenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide (CID 16592021) is N-(4-butan-2-ylphenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-(4-butan-2-ylphenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-(4-butan-2-ylphenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide is CCC(C)c1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1.
What is the InChIKey of N-(4-butan-2-ylphenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is OLBKWCWWDLTTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2/c1-3-15(2)16-6-10-19(11-7-16)25-21(26)12-13-22-24-14-20(27-22)17-4-8-18(23)9-5-17/h4-11,14-15H,3,12-13H2,1-2H3,(H,25,26).
What are the key properties of N-(4-butan-2-ylphenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
N-(4-butan-2-ylphenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 366.44 g/mol, XLogP of 5.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylphenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 16592021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).