2-[5-[2-(4-fluorophenyl)-5-[(6-methoxy-3-pyridinyl)sulfanyl]-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol

C23H20FN3O3S — CID 44814981

IUPAC2-[5-[2-(4-fluorophenyl)-5-[(6-methoxy-3-pyridinyl)sulfanyl]-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol
SMILESCOc1ccc(Sc2oc(-c3ccc(F)cc3)nc2-c2ccc(C(C)(C)O)nc2)cn1
InChIInChI=1S/C23H20FN3O3S/c1-23(2,28)18-10-6-15(12-25-18)20-22(31-17-9-11-19(29-3)26-13-17)30-21(27-20)14-4-7-16(24)8-5-14/h4-13,28H,1-3H3
InChIKeyLGQIGMHJEZFXLW-UHFFFAOYSA-N
MW437.50 g/mol
LogP5.32
Rot. Bonds6

About 2-[5-[2-(4-fluorophenyl)-5-[(6-methoxy-3-pyridinyl)sulfanyl]-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol

2-[5-[2-(4-fluorophenyl)-5-[(6-methoxy-3-pyridinyl)sulfanyl]-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol (PubChem CID 44814981) has the molecular formula C23H20FN3O3S and a molecular weight of 437.50 g/mol. Its IUPAC name is 2-[5-[2-(4-fluorophenyl)-5-[(6-methoxy-3-pyridinyl)sulfanyl]-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[2-(4-fluorophenyl)-5-[(6-methoxy-3-pyridinyl)sulfanyl]-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol
PubChem CID44814981
Molecular FormulaC23H20FN3O3S
Molecular Weight437.50 g/mol
Exact Mass437.12
IUPAC Name2-[5-[2-(4-fluorophenyl)-5-[(6-methoxy-3-pyridinyl)sulfanyl]-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol
SMILESCOc1ccc(Sc2oc(-c3ccc(F)cc3)nc2-c2ccc(C(C)(C)O)nc2)cn1
InChIInChI=1S/C23H20FN3O3S/c1-23(2,28)18-10-6-15(12-25-18)20-22(31-17-9-11-19(29-3)26-13-17)30-21(27-20)14-4-7-16(24)8-5-14/h4-13,28H,1-3H3
InChIKeyLGQIGMHJEZFXLW-UHFFFAOYSA-N
XLogP5.32
TPSA81.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.50
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(4-fluorophenyl)-5-[(6-methoxy-3-pyridinyl)sulfanyl]-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[5-[2-(4-fluorophenyl)-5-[(6-methoxy-3-pyridinyl)sulfanyl]-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol (CID 44814981) is 2-[5-[2-(4-fluorophenyl)-5-[(6-methoxy-3-pyridinyl)sulfanyl]-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[5-[2-(4-fluorophenyl)-5-[(6-methoxy-3-pyridinyl)sulfanyl]-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[5-[2-(4-fluorophenyl)-5-[(6-methoxy-3-pyridinyl)sulfanyl]-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol is COc1ccc(Sc2oc(-c3ccc(F)cc3)nc2-c2ccc(C(C)(C)O)nc2)cn1.
What is the InChIKey of 2-[5-[2-(4-fluorophenyl)-5-[(6-methoxy-3-pyridinyl)sulfanyl]-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol?
The InChIKey is LGQIGMHJEZFXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O3S/c1-23(2,28)18-10-6-15(12-25-18)20-22(31-17-9-11-19(29-3)26-13-17)30-21(27-20)14-4-7-16(24)8-5-14/h4-13,28H,1-3H3.
What are the key properties of 2-[5-[2-(4-fluorophenyl)-5-[(6-methoxy-3-pyridinyl)sulfanyl]-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol?
2-[5-[2-(4-fluorophenyl)-5-[(6-methoxy-3-pyridinyl)sulfanyl]-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol has a molecular weight of 437.50 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(4-fluorophenyl)-5-[(6-methoxy-3-pyridinyl)sulfanyl]-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 44814981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).