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

C16H14FN3O2S — CID 16593744

IUPAC3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1cnc(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)s1
InChIInChI=1S/C16H14FN3O2S/c1-10-8-19-16(23-10)20-14(21)6-7-15-18-9-13(22-15)11-2-4-12(17)5-3-11/h2-5,8-9H,6-7H2,1H3,(H,19,20,21)
InChIKeyZHHIKFRYYIVJTO-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.82
Rot. Bonds5

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

3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 16593744) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID16593744
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC Name3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1cnc(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)s1
InChIInChI=1S/C16H14FN3O2S/c1-10-8-19-16(23-10)20-14(21)6-7-15-18-9-13(22-15)11-2-4-12(17)5-3-11/h2-5,8-9H,6-7H2,1H3,(H,19,20,21)
InChIKeyZHHIKFRYYIVJTO-UHFFFAOYSA-N
XLogP3.82
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.82
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-1,3-thiazol-2-yl)propanamide
CID 16593746
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 17483229
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
CID 29499309
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methylphenyl)propanamide
CID 16590316
N-(2,4-dimethylphenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 17438164
N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 24596759
N-(5-fluoro-2-methylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 41356754
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 29370697
4-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-methylbenzamide
CID 16598099
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 41293283
N-(3,4-dichlorophenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590384
N-[2-(4-fluorophenyl)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 30698610

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide (CID 16593744) is 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide is Cc1cnc(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)s1.
What is the InChIKey of 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is ZHHIKFRYYIVJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S/c1-10-8-19-16(23-10)20-14(21)6-7-15-18-9-13(22-15)11-2-4-12(17)5-3-11/h2-5,8-9H,6-7H2,1H3,(H,19,20,21).
What are the key properties of 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 331.37 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 16593744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).