4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide

C23H14F9N5O3 — CID 162650599

IUPAC4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide
SMILESCc1noc(-c2cnn(-c3ccc(NC(=O)c4ccc(C(O)(C(F)(F)F)C(F)(F)F)cc4)cc3)c2C(F)(F)F)n1
InChIInChI=1S/C23H14F9N5O3/c1-11-34-19(40-36-11)16-10-33-37(17(16)21(24,25)26)15-8-6-14(7-9-15)35-18(38)12-2-4-13(5-3-12)20(39,22(27,28)29)23(30,31)32/h2-10,39H,1H3,(H,35,38)
InChIKeyFWDTYFAMJSBEBV-UHFFFAOYSA-N
MW579.38 g/mol
LogP5.81
Rot. Bonds5

About 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide

4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide (PubChem CID 162650599) has the molecular formula C23H14F9N5O3 and a molecular weight of 579.38 g/mol. Its IUPAC name is 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide
PubChem CID162650599
Molecular FormulaC23H14F9N5O3
Molecular Weight579.38 g/mol
Exact Mass579.10
IUPAC Name4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide
SMILESCc1noc(-c2cnn(-c3ccc(NC(=O)c4ccc(C(O)(C(F)(F)F)C(F)(F)F)cc4)cc3)c2C(F)(F)F)n1
InChIInChI=1S/C23H14F9N5O3/c1-11-34-19(40-36-11)16-10-33-37(17(16)21(24,25)26)15-8-6-14(7-9-15)35-18(38)12-2-4-13(5-3-12)20(39,22(27,28)29)23(30,31)32/h2-10,39H,1H3,(H,35,38)
InChIKeyFWDTYFAMJSBEBV-UHFFFAOYSA-N
XLogP5.81
TPSA106.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.38
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide?
The IUPAC name of 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide (CID 162650599) is 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide.
What is the SMILES notation for 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide?
The canonical SMILES for 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide is Cc1noc(-c2cnn(-c3ccc(NC(=O)c4ccc(C(O)(C(F)(F)F)C(F)(F)F)cc4)cc3)c2C(F)(F)F)n1.
What is the InChIKey of 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide?
The InChIKey is FWDTYFAMJSBEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F9N5O3/c1-11-34-19(40-36-11)16-10-33-37(17(16)21(24,25)26)15-8-6-14(7-9-15)35-18(38)12-2-4-13(5-3-12)20(39,22(27,28)29)23(30,31)32/h2-10,39H,1H3,(H,35,38).
What are the key properties of 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide?
4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide has a molecular weight of 579.38 g/mol, XLogP of 5.81, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide is sourced from PubChem (CID 162650599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).