3-chloro-N-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-benzothiophene-2-carboxamide

C18H10ClFN2O2S — CID 23605621

IUPAC3-chloro-N-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cc(-c2ccc(F)cc2)no1)c1sc2ccccc2c1Cl
InChIInChI=1S/C18H10ClFN2O2S/c19-16-12-3-1-2-4-14(12)25-17(16)18(23)21-15-9-13(22-24-15)10-5-7-11(20)8-6-10/h1-9H,(H,21,23)
InChIKeyCWRZEXPRIDMEEM-UHFFFAOYSA-N
MW372.81 g/mol
LogP5.60
Rot. Bonds3

About 3-chloro-N-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-benzothiophene-2-carboxamide

3-chloro-N-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-benzothiophene-2-carboxamide (PubChem CID 23605621) has the molecular formula C18H10ClFN2O2S and a molecular weight of 372.81 g/mol. Its IUPAC name is 3-chloro-N-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-benzothiophene-2-carboxamide
PubChem CID23605621
Molecular FormulaC18H10ClFN2O2S
Molecular Weight372.81 g/mol
Exact Mass372.01
IUPAC Name3-chloro-N-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cc(-c2ccc(F)cc2)no1)c1sc2ccccc2c1Cl
InChIInChI=1S/C18H10ClFN2O2S/c19-16-12-3-1-2-4-14(12)25-17(16)18(23)21-15-9-13(22-24-15)10-5-7-11(20)8-6-10/h1-9H,(H,21,23)
InChIKeyCWRZEXPRIDMEEM-UHFFFAOYSA-N
XLogP5.60
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.81
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-benzothiophene-2-carboxamide (CID 23605621) is 3-chloro-N-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-benzothiophene-2-carboxamide is O=C(Nc1cc(-c2ccc(F)cc2)no1)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-benzothiophene-2-carboxamide?
The InChIKey is CWRZEXPRIDMEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClFN2O2S/c19-16-12-3-1-2-4-14(12)25-17(16)18(23)21-15-9-13(22-24-15)10-5-7-11(20)8-6-10/h1-9H,(H,21,23).
What are the key properties of 3-chloro-N-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-benzothiophene-2-carboxamide?
3-chloro-N-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-benzothiophene-2-carboxamide has a molecular weight of 372.81 g/mol, XLogP of 5.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 23605621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).