N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

C23H14FN3O3S — CID 73168709

IUPACN-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1cc(-c2ccco2)on1
InChIInChI=1S/C23H14FN3O3S/c24-16-8-3-1-6-14(16)23-26-19(13-31-23)15-7-2-4-9-17(15)25-22(28)18-12-21(30-27-18)20-10-5-11-29-20/h1-13H,(H,25,28)
InChIKeyPVZMUEUWAKDOED-UHFFFAOYSA-N
MW431.45 g/mol
LogP6.12
Rot. Bonds5

About N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 73168709) has the molecular formula C23H14FN3O3S and a molecular weight of 431.45 g/mol. Its IUPAC name is N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID73168709
Molecular FormulaC23H14FN3O3S
Molecular Weight431.45 g/mol
Exact Mass431.07
IUPAC NameN-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1cc(-c2ccco2)on1
InChIInChI=1S/C23H14FN3O3S/c24-16-8-3-1-6-14(16)23-26-19(13-31-23)15-7-2-4-9-17(15)25-22(28)18-12-21(30-27-18)20-10-5-11-29-20/h1-13H,(H,25,28)
InChIKeyPVZMUEUWAKDOED-UHFFFAOYSA-N
XLogP6.12
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.45
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (CID 73168709) is N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is O=C(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1cc(-c2ccco2)on1.
What is the InChIKey of N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is PVZMUEUWAKDOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14FN3O3S/c24-16-8-3-1-6-14(16)23-26-19(13-31-23)15-7-2-4-9-17(15)25-22(28)18-12-21(30-27-18)20-10-5-11-29-20/h1-13H,(H,25,28).
What are the key properties of N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 431.45 g/mol, XLogP of 6.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 73168709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).