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

C22H16ClF2N3O2S — CID 44815314

IUPAC2-[5-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(3,5-difluorophenyl)-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1ccc(-c2nc(-c3cc(F)cc(F)c3)oc2Sc2ccc(Cl)cn2)cn1
InChIInChI=1S/C22H16ClF2N3O2S/c1-22(2,29)17-5-3-12(10-26-17)19-21(31-18-6-4-14(23)11-27-18)30-20(28-19)13-7-15(24)9-16(25)8-13/h3-11,29H,1-2H3
InChIKeyBVEMOCDRUAISCC-UHFFFAOYSA-N
MW459.91 g/mol
LogP6.11
Rot. Bonds5

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

2-[5-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(3,5-difluorophenyl)-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol (PubChem CID 44815314) has the molecular formula C22H16ClF2N3O2S and a molecular weight of 459.91 g/mol. Its IUPAC name is 2-[5-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(3,5-difluorophenyl)-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(3,5-difluorophenyl)-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol
PubChem CID44815314
Molecular FormulaC22H16ClF2N3O2S
Molecular Weight459.91 g/mol
Exact Mass459.06
IUPAC Name2-[5-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(3,5-difluorophenyl)-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1ccc(-c2nc(-c3cc(F)cc(F)c3)oc2Sc2ccc(Cl)cn2)cn1
InChIInChI=1S/C22H16ClF2N3O2S/c1-22(2,29)17-5-3-12(10-26-17)19-21(31-18-6-4-14(23)11-27-18)30-20(28-19)13-7-15(24)9-16(25)8-13/h3-11,29H,1-2H3
InChIKeyBVEMOCDRUAISCC-UHFFFAOYSA-N
XLogP6.11
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.91
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(3,5-difluorophenyl)-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(3,5-difluorophenyl)-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[5-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(3,5-difluorophenyl)-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol (CID 44815314) is 2-[5-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(3,5-difluorophenyl)-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[5-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(3,5-difluorophenyl)-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[5-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(3,5-difluorophenyl)-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol is CC(C)(O)c1ccc(-c2nc(-c3cc(F)cc(F)c3)oc2Sc2ccc(Cl)cn2)cn1.
What is the InChIKey of 2-[5-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(3,5-difluorophenyl)-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol?
The InChIKey is BVEMOCDRUAISCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF2N3O2S/c1-22(2,29)17-5-3-12(10-26-17)19-21(31-18-6-4-14(23)11-27-18)30-20(28-19)13-7-15(24)9-16(25)8-13/h3-11,29H,1-2H3.
What are the key properties of 2-[5-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(3,5-difluorophenyl)-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol?
2-[5-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(3,5-difluorophenyl)-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol has a molecular weight of 459.91 g/mol, XLogP of 6.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(3,5-difluorophenyl)-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 44815314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).