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

C24H21FN2O3S — CID 44814621

IUPAC2-[5-[2-(4-fluorophenyl)-5-(4-methoxyphenyl)sulfanyl-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol
SMILESCOc1ccc(Sc2oc(-c3ccc(F)cc3)nc2-c2ccc(C(C)(C)O)nc2)cc1
InChIInChI=1S/C24H21FN2O3S/c1-24(2,28)20-13-6-16(14-26-20)21-23(31-19-11-9-18(29-3)10-12-19)30-22(27-21)15-4-7-17(25)8-5-15/h4-14,28H,1-3H3
InChIKeyOZWFJBLHVOQNCD-UHFFFAOYSA-N
MW436.51 g/mol
LogP5.93
Rot. Bonds6

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

2-[5-[2-(4-fluorophenyl)-5-(4-methoxyphenyl)sulfanyl-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol (PubChem CID 44814621) has the molecular formula C24H21FN2O3S and a molecular weight of 436.51 g/mol. Its IUPAC name is 2-[5-[2-(4-fluorophenyl)-5-(4-methoxyphenyl)sulfanyl-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[2-(4-fluorophenyl)-5-(4-methoxyphenyl)sulfanyl-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol
PubChem CID44814621
Molecular FormulaC24H21FN2O3S
Molecular Weight436.51 g/mol
Exact Mass436.13
IUPAC Name2-[5-[2-(4-fluorophenyl)-5-(4-methoxyphenyl)sulfanyl-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol
SMILESCOc1ccc(Sc2oc(-c3ccc(F)cc3)nc2-c2ccc(C(C)(C)O)nc2)cc1
InChIInChI=1S/C24H21FN2O3S/c1-24(2,28)20-13-6-16(14-26-20)21-23(31-19-11-9-18(29-3)10-12-19)30-22(27-21)15-4-7-17(25)8-5-15/h4-14,28H,1-3H3
InChIKeyOZWFJBLHVOQNCD-UHFFFAOYSA-N
XLogP5.93
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(4-fluorophenyl)-5-(4-methoxyphenyl)sulfanyl-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[5-[2-(4-fluorophenyl)-5-(4-methoxyphenyl)sulfanyl-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol (CID 44814621) is 2-[5-[2-(4-fluorophenyl)-5-(4-methoxyphenyl)sulfanyl-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[5-[2-(4-fluorophenyl)-5-(4-methoxyphenyl)sulfanyl-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[5-[2-(4-fluorophenyl)-5-(4-methoxyphenyl)sulfanyl-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol is COc1ccc(Sc2oc(-c3ccc(F)cc3)nc2-c2ccc(C(C)(C)O)nc2)cc1.
What is the InChIKey of 2-[5-[2-(4-fluorophenyl)-5-(4-methoxyphenyl)sulfanyl-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol?
The InChIKey is OZWFJBLHVOQNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O3S/c1-24(2,28)20-13-6-16(14-26-20)21-23(31-19-11-9-18(29-3)10-12-19)30-22(27-21)15-4-7-17(25)8-5-15/h4-14,28H,1-3H3.
What are the key properties of 2-[5-[2-(4-fluorophenyl)-5-(4-methoxyphenyl)sulfanyl-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol?
2-[5-[2-(4-fluorophenyl)-5-(4-methoxyphenyl)sulfanyl-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol has a molecular weight of 436.51 g/mol, XLogP of 5.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(4-fluorophenyl)-5-(4-methoxyphenyl)sulfanyl-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 44814621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).