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

C21H16FN3O2S — CID 16621496

IUPACN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESCc1oc(-c2ccccc2)nc1CC(=O)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C21H16FN3O2S/c1-13-17(23-20(27-13)15-5-3-2-4-6-15)11-19(26)25-21-24-18(12-28-21)14-7-9-16(22)10-8-14/h2-10,12H,11H2,1H3,(H,24,25,26)
InChIKeyQXXBMYVSTIIDQF-UHFFFAOYSA-N
MW393.44 g/mol
LogP5.09
Rot. Bonds5

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

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide (PubChem CID 16621496) has the molecular formula C21H16FN3O2S and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
PubChem CID16621496
Molecular FormulaC21H16FN3O2S
Molecular Weight393.44 g/mol
Exact Mass393.09
IUPAC NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESCc1oc(-c2ccccc2)nc1CC(=O)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C21H16FN3O2S/c1-13-17(23-20(27-13)15-5-3-2-4-6-15)11-19(26)25-21-24-18(12-28-21)14-7-9-16(22)10-8-14/h2-10,12H,11H2,1H3,(H,24,25,26)
InChIKeyQXXBMYVSTIIDQF-UHFFFAOYSA-N
XLogP5.09
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.44
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 18282283
N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 46514689
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide
CID 55663551
N-[4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-1,3-thiazol-2-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 24627452
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 31765063
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 2114533
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
CID 55750393
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 55645161
2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methoxyacetamide
CID 110611766
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(4-phenylphenoxy)acetamide
CID 19178667
[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2,4,5-trimethylfuran-3-carboxylate
CID 18204805
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butanamide
CID 704241

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
The IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide (CID 16621496) is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide is Cc1oc(-c2ccccc2)nc1CC(=O)Nc1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
The InChIKey is QXXBMYVSTIIDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O2S/c1-13-17(23-20(27-13)15-5-3-2-4-6-15)11-19(26)25-21-24-18(12-28-21)14-7-9-16(22)10-8-14/h2-10,12H,11H2,1H3,(H,24,25,26).
What are the key properties of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide has a molecular weight of 393.44 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 16621496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).