2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methylsulfanylphenyl)benzamide

C23H17FN2O2S — CID 100506347

IUPAC2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methylsulfanylphenyl)benzamide
SMILESCSc1ccccc1NC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C23H17FN2O2S/c1-29-21-9-5-4-8-19(21)26-22(27)17-6-2-3-7-18(17)23-25-14-20(28-23)15-10-12-16(24)13-11-15/h2-14H,1H3,(H,26,27)
InChIKeyMTNVKSOQHLBAJN-UHFFFAOYSA-N
MW404.47 g/mol
LogP6.12
Rot. Bonds5

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

2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methylsulfanylphenyl)benzamide (PubChem CID 100506347) has the molecular formula C23H17FN2O2S and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methylsulfanylphenyl)benzamide
PubChem CID100506347
Molecular FormulaC23H17FN2O2S
Molecular Weight404.47 g/mol
Exact Mass404.10
IUPAC Name2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methylsulfanylphenyl)benzamide
SMILESCSc1ccccc1NC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C23H17FN2O2S/c1-29-21-9-5-4-8-19(21)26-22(27)17-6-2-3-7-18(17)23-25-14-20(28-23)15-10-12-16(24)13-11-15/h2-14H,1H3,(H,26,27)
InChIKeyMTNVKSOQHLBAJN-UHFFFAOYSA-N
XLogP6.12
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.47
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-phenylbenzamide
CID 36704097
N-(2,5-dichlorophenyl)-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzamide
CID 100505980
2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methoxyphenyl)benzamide
CID 36703629
N-(2-fluorophenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502310
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzamide
CID 100506108
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzamide
CID 100506441
2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide
CID 38329843
N'-[2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]-2-methylfuran-3-carbohydrazide
CID 36702942
2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 100506520
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 133150119
N-(2,3-dimethylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502178
2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(2-fluorophenyl)benzamide
CID 100510992

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methylsulfanylphenyl)benzamide?
The IUPAC name of 2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methylsulfanylphenyl)benzamide (CID 100506347) is 2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methylsulfanylphenyl)benzamide?
The canonical SMILES for 2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methylsulfanylphenyl)benzamide is CSc1ccccc1NC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1.
What is the InChIKey of 2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methylsulfanylphenyl)benzamide?
The InChIKey is MTNVKSOQHLBAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O2S/c1-29-21-9-5-4-8-19(21)26-22(27)17-6-2-3-7-18(17)23-25-14-20(28-23)15-10-12-16(24)13-11-15/h2-14H,1H3,(H,26,27).
What are the key properties of 2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methylsulfanylphenyl)benzamide?
2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methylsulfanylphenyl)benzamide has a molecular weight of 404.47 g/mol, XLogP of 6.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 100506347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).