2-[4-[[5-methyl-3-[4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]pyrazol-1-yl]methyl]-2-pyridinyl]propan-2-ol

C23H21F3N4O3 — CID 150599628

IUPAC2-[4-[[5-methyl-3-[4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]pyrazol-1-yl]methyl]-2-pyridinyl]propan-2-ol
SMILESCc1cc(-c2nc(-c3ccc(OC(F)(F)F)cc3)co2)nn1Cc1ccnc(C(C)(C)O)c1
InChIInChI=1S/C23H21F3N4O3/c1-14-10-18(29-30(14)12-15-8-9-27-20(11-15)22(2,3)31)21-28-19(13-32-21)16-4-6-17(7-5-16)33-23(24,25)26/h4-11,13,31H,12H2,1-3H3
InChIKeyIRPAALGFACWSIO-UHFFFAOYSA-N
MW458.44 g/mol
LogP5.08
Rot. Bonds6

About 2-[4-[[5-methyl-3-[4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]pyrazol-1-yl]methyl]-2-pyridinyl]propan-2-ol

2-[4-[[5-methyl-3-[4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]pyrazol-1-yl]methyl]-2-pyridinyl]propan-2-ol (PubChem CID 150599628) has the molecular formula C23H21F3N4O3 and a molecular weight of 458.44 g/mol. Its IUPAC name is 2-[4-[[5-methyl-3-[4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]pyrazol-1-yl]methyl]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[[5-methyl-3-[4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]pyrazol-1-yl]methyl]-2-pyridinyl]propan-2-ol
PubChem CID150599628
Molecular FormulaC23H21F3N4O3
Molecular Weight458.44 g/mol
Exact Mass458.16
IUPAC Name2-[4-[[5-methyl-3-[4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]pyrazol-1-yl]methyl]-2-pyridinyl]propan-2-ol
SMILESCc1cc(-c2nc(-c3ccc(OC(F)(F)F)cc3)co2)nn1Cc1ccnc(C(C)(C)O)c1
InChIInChI=1S/C23H21F3N4O3/c1-14-10-18(29-30(14)12-15-8-9-27-20(11-15)22(2,3)31)21-28-19(13-32-21)16-4-6-17(7-5-16)33-23(24,25)26/h4-11,13,31H,12H2,1-3H3
InChIKeyIRPAALGFACWSIO-UHFFFAOYSA-N
XLogP5.08
TPSA86.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.44
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-methyl-3-[4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]pyrazol-1-yl]methyl]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[4-[[5-methyl-3-[4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]pyrazol-1-yl]methyl]-2-pyridinyl]propan-2-ol (CID 150599628) is 2-[4-[[5-methyl-3-[4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]pyrazol-1-yl]methyl]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[4-[[5-methyl-3-[4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]pyrazol-1-yl]methyl]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[4-[[5-methyl-3-[4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]pyrazol-1-yl]methyl]-2-pyridinyl]propan-2-ol is Cc1cc(-c2nc(-c3ccc(OC(F)(F)F)cc3)co2)nn1Cc1ccnc(C(C)(C)O)c1.
What is the InChIKey of 2-[4-[[5-methyl-3-[4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]pyrazol-1-yl]methyl]-2-pyridinyl]propan-2-ol?
The InChIKey is IRPAALGFACWSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O3/c1-14-10-18(29-30(14)12-15-8-9-27-20(11-15)22(2,3)31)21-28-19(13-32-21)16-4-6-17(7-5-16)33-23(24,25)26/h4-11,13,31H,12H2,1-3H3.
What are the key properties of 2-[4-[[5-methyl-3-[4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]pyrazol-1-yl]methyl]-2-pyridinyl]propan-2-ol?
2-[4-[[5-methyl-3-[4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]pyrazol-1-yl]methyl]-2-pyridinyl]propan-2-ol has a molecular weight of 458.44 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-methyl-3-[4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]pyrazol-1-yl]methyl]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 150599628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).