N-(3,5-difluorophenyl)-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide

C23H13F2N3O2S — CID 97385266

IUPACN-(3,5-difluorophenyl)-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide
SMILESO=C(Nc1cc(F)cc(F)c1)c1ccc2onc(-c3csc(-c4ccccc4)n3)c2c1
InChIInChI=1S/C23H13F2N3O2S/c24-15-9-16(25)11-17(10-15)26-22(29)14-6-7-20-18(8-14)21(28-30-20)19-12-31-23(27-19)13-4-2-1-3-5-13/h1-12H,(H,26,29)
InChIKeyNYGSJCDLKUNWBN-UHFFFAOYSA-N
MW433.44 g/mol
LogP6.15
Rot. Bonds4

About N-(3,5-difluorophenyl)-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide

N-(3,5-difluorophenyl)-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide (PubChem CID 97385266) has the molecular formula C23H13F2N3O2S and a molecular weight of 433.44 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide
PubChem CID97385266
Molecular FormulaC23H13F2N3O2S
Molecular Weight433.44 g/mol
Exact Mass433.07
IUPAC NameN-(3,5-difluorophenyl)-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide
SMILESO=C(Nc1cc(F)cc(F)c1)c1ccc2onc(-c3csc(-c4ccccc4)n3)c2c1
InChIInChI=1S/C23H13F2N3O2S/c24-15-9-16(25)11-17(10-15)26-22(29)14-6-7-20-18(8-14)21(28-30-20)19-12-31-23(27-19)13-4-2-1-3-5-13/h1-12H,(H,26,29)
InChIKeyNYGSJCDLKUNWBN-UHFFFAOYSA-N
XLogP6.15
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.44
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3,5-difluorophenyl)-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide with MolForge

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Related Compounds

N-(6-methyl-3-pyridinyl)-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97361918
N-(2-hydroxyethyl)-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97361925
N-[3-(diethylamino)propyl]-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97361929
1-(3,5-difluorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 122286296
N-(2,4-difluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97385263
N-benzyl-3-(2-phenyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97446275
3,5-dimethyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 122286288
1-(3-fluorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 122286299
3-cyano-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 122286155
N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 31263128
2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazo[1,2-a]pyridine-7-carboxamide
CID 108810602
5-bromo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyridine-3-carboxamide
CID 122286371

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide?
The IUPAC name of N-(3,5-difluorophenyl)-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide (CID 97385266) is N-(3,5-difluorophenyl)-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide?
The canonical SMILES for N-(3,5-difluorophenyl)-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide is O=C(Nc1cc(F)cc(F)c1)c1ccc2onc(-c3csc(-c4ccccc4)n3)c2c1.
What is the InChIKey of N-(3,5-difluorophenyl)-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide?
The InChIKey is NYGSJCDLKUNWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13F2N3O2S/c24-15-9-16(25)11-17(10-15)26-22(29)14-6-7-20-18(8-14)21(28-30-20)19-12-31-23(27-19)13-4-2-1-3-5-13/h1-12H,(H,26,29).
What are the key properties of N-(3,5-difluorophenyl)-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide?
N-(3,5-difluorophenyl)-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide has a molecular weight of 433.44 g/mol, XLogP of 6.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide is sourced from PubChem (CID 97385266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).