2-[4-[4-[(4,4-difluoro-2-methylpyrrolidin-1-yl)methyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-3-methylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C24H24F8N4O3S — CID 121301976

IUPAC2-[4-[4-[(4,4-difluoro-2-methylpyrrolidin-1-yl)methyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-3-methylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1-c1sc(-c2nnc(C(C)(C)O)o2)nc1CN1CC(F)(F)CC1C
InChIInChI=1S/C24H24F8N4O3S/c1-11-7-13(22(38,23(27,28)29)24(30,31)32)5-6-14(11)16-15(9-36-10-21(25,26)8-12(36)2)33-18(40-16)17-34-35-19(39-17)20(3,4)37/h5-7,12,37-38H,8-10H2,1-4H3
InChIKeyBHGXHHFXZPCMOT-UHFFFAOYSA-N
MW600.53 g/mol
LogP5.94
Rot. Bonds6

About 2-[4-[4-[(4,4-difluoro-2-methylpyrrolidin-1-yl)methyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-3-methylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[4-[4-[(4,4-difluoro-2-methylpyrrolidin-1-yl)methyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-3-methylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 121301976) has the molecular formula C24H24F8N4O3S and a molecular weight of 600.53 g/mol. Its IUPAC name is 2-[4-[4-[(4,4-difluoro-2-methylpyrrolidin-1-yl)methyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-3-methylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[4-[4-[(4,4-difluoro-2-methylpyrrolidin-1-yl)methyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-3-methylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID121301976
Molecular FormulaC24H24F8N4O3S
Molecular Weight600.53 g/mol
Exact Mass600.14
IUPAC Name2-[4-[4-[(4,4-difluoro-2-methylpyrrolidin-1-yl)methyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-3-methylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1-c1sc(-c2nnc(C(C)(C)O)o2)nc1CN1CC(F)(F)CC1C
InChIInChI=1S/C24H24F8N4O3S/c1-11-7-13(22(38,23(27,28)29)24(30,31)32)5-6-14(11)16-15(9-36-10-21(25,26)8-12(36)2)33-18(40-16)17-34-35-19(39-17)20(3,4)37/h5-7,12,37-38H,8-10H2,1-4H3
InChIKeyBHGXHHFXZPCMOT-UHFFFAOYSA-N
XLogP5.94
TPSA95.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.53
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-[4-[(4,4-difluoro-2-methylpyrrolidin-1-yl)methyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-3-methylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[(4,4-difluoro-2-methylpyrrolidin-1-yl)methyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-3-methylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[4-[4-[(4,4-difluoro-2-methylpyrrolidin-1-yl)methyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-3-methylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 121301976) is 2-[4-[4-[(4,4-difluoro-2-methylpyrrolidin-1-yl)methyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-3-methylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[4-[4-[(4,4-difluoro-2-methylpyrrolidin-1-yl)methyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-3-methylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[4-[4-[(4,4-difluoro-2-methylpyrrolidin-1-yl)methyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-3-methylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1-c1sc(-c2nnc(C(C)(C)O)o2)nc1CN1CC(F)(F)CC1C.
What is the InChIKey of 2-[4-[4-[(4,4-difluoro-2-methylpyrrolidin-1-yl)methyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-3-methylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is BHGXHHFXZPCMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F8N4O3S/c1-11-7-13(22(38,23(27,28)29)24(30,31)32)5-6-14(11)16-15(9-36-10-21(25,26)8-12(36)2)33-18(40-16)17-34-35-19(39-17)20(3,4)37/h5-7,12,37-38H,8-10H2,1-4H3.
What are the key properties of 2-[4-[4-[(4,4-difluoro-2-methylpyrrolidin-1-yl)methyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-3-methylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[4-[4-[(4,4-difluoro-2-methylpyrrolidin-1-yl)methyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-3-methylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 600.53 g/mol, XLogP of 5.94, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[(4,4-difluoro-2-methylpyrrolidin-1-yl)methyl]-2-[5-(2-hydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-3-methylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 121301976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).