5-(4-fluorophenyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1,3-oxazole-2-carboxamide

C24H16FN3O2S — CID 16950336

IUPAC5-(4-fluorophenyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1,3-oxazole-2-carboxamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)c4ncc(-c5ccc(F)cc5)o4)cc3)sc2c1
InChIInChI=1S/C24H16FN3O2S/c1-14-2-11-19-21(12-14)31-24(28-19)16-5-9-18(10-6-16)27-22(29)23-26-13-20(30-23)15-3-7-17(25)8-4-15/h2-13H,1H3,(H,27,29)
InChIKeyHRCUVRKVAFTFEG-UHFFFAOYSA-N
MW429.48 g/mol
LogP6.32
Rot. Bonds4

About 5-(4-fluorophenyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1,3-oxazole-2-carboxamide

5-(4-fluorophenyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1,3-oxazole-2-carboxamide (PubChem CID 16950336) has the molecular formula C24H16FN3O2S and a molecular weight of 429.48 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1,3-oxazole-2-carboxamide
PubChem CID16950336
Molecular FormulaC24H16FN3O2S
Molecular Weight429.48 g/mol
Exact Mass429.09
IUPAC Name5-(4-fluorophenyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1,3-oxazole-2-carboxamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)c4ncc(-c5ccc(F)cc5)o4)cc3)sc2c1
InChIInChI=1S/C24H16FN3O2S/c1-14-2-11-19-21(12-14)31-24(28-19)16-5-9-18(10-6-16)27-22(29)23-26-13-20(30-23)15-3-7-17(25)8-4-15/h2-13H,1H3,(H,27,29)
InChIKeyHRCUVRKVAFTFEG-UHFFFAOYSA-N
XLogP6.32
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.48
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1,3-oxazole-2-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1,3-oxazole-2-carboxamide (CID 16950336) is 5-(4-fluorophenyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1,3-oxazole-2-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1,3-oxazole-2-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1,3-oxazole-2-carboxamide is Cc1ccc2nc(-c3ccc(NC(=O)c4ncc(-c5ccc(F)cc5)o4)cc3)sc2c1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1,3-oxazole-2-carboxamide?
The InChIKey is HRCUVRKVAFTFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN3O2S/c1-14-2-11-19-21(12-14)31-24(28-19)16-5-9-18(10-6-16)27-22(29)23-26-13-20(30-23)15-3-7-17(25)8-4-15/h2-13H,1H3,(H,27,29).
What are the key properties of 5-(4-fluorophenyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1,3-oxazole-2-carboxamide?
5-(4-fluorophenyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1,3-oxazole-2-carboxamide has a molecular weight of 429.48 g/mol, XLogP of 6.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 16950336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).