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

C23H18ClFN2O2S — CID 44815978

IUPAC2-[4-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]phenyl]propan-2-ol
SMILESCC(C)(O)c1ccc(-c2nc(-c3ccc(F)cc3)oc2Sc2ccc(Cl)cn2)cc1
InChIInChI=1S/C23H18ClFN2O2S/c1-23(2,28)16-7-3-14(4-8-16)20-22(30-19-12-9-17(24)13-26-19)29-21(27-20)15-5-10-18(25)11-6-15/h3-13,28H,1-2H3
InChIKeyOSXHDSLYVACHGF-UHFFFAOYSA-N
MW440.93 g/mol
LogP6.57
Rot. Bonds5

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

2-[4-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]phenyl]propan-2-ol (PubChem CID 44815978) has the molecular formula C23H18ClFN2O2S and a molecular weight of 440.93 g/mol. Its IUPAC name is 2-[4-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]phenyl]propan-2-ol
PubChem CID44815978
Molecular FormulaC23H18ClFN2O2S
Molecular Weight440.93 g/mol
Exact Mass440.08
IUPAC Name2-[4-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]phenyl]propan-2-ol
SMILESCC(C)(O)c1ccc(-c2nc(-c3ccc(F)cc3)oc2Sc2ccc(Cl)cn2)cc1
InChIInChI=1S/C23H18ClFN2O2S/c1-23(2,28)16-7-3-14(4-8-16)20-22(30-19-12-9-17(24)13-26-19)29-21(27-20)15-5-10-18(25)11-6-15/h3-13,28H,1-2H3
InChIKeyOSXHDSLYVACHGF-UHFFFAOYSA-N
XLogP6.57
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.93
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]phenyl]propan-2-ol?
The IUPAC name of 2-[4-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]phenyl]propan-2-ol (CID 44815978) is 2-[4-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]phenyl]propan-2-ol.
What is the SMILES notation for 2-[4-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]phenyl]propan-2-ol?
The canonical SMILES for 2-[4-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]phenyl]propan-2-ol is CC(C)(O)c1ccc(-c2nc(-c3ccc(F)cc3)oc2Sc2ccc(Cl)cn2)cc1.
What is the InChIKey of 2-[4-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]phenyl]propan-2-ol?
The InChIKey is OSXHDSLYVACHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN2O2S/c1-23(2,28)16-7-3-14(4-8-16)20-22(30-19-12-9-17(24)13-26-19)29-21(27-20)15-5-10-18(25)11-6-15/h3-13,28H,1-2H3.
What are the key properties of 2-[4-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]phenyl]propan-2-ol?
2-[4-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]phenyl]propan-2-ol has a molecular weight of 440.93 g/mol, XLogP of 6.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]phenyl]propan-2-ol is sourced from PubChem (CID 44815978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).