2,6-difluoro-N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide

C20H12F5N5O2 — CID 162676483

IUPAC2,6-difluoro-N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide
SMILESCc1noc(-c2cnn(-c3ccc(NC(=O)c4c(F)cccc4F)cc3)c2C(F)(F)F)n1
InChIInChI=1S/C20H12F5N5O2/c1-10-27-19(32-29-10)13-9-26-30(17(13)20(23,24)25)12-7-5-11(6-8-12)28-18(31)16-14(21)3-2-4-15(16)22/h2-9H,1H3,(H,28,31)
InChIKeyKVWZDUSPPACYRZ-UHFFFAOYSA-N
MW449.34 g/mol
LogP4.78
Rot. Bonds4

About 2,6-difluoro-N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide

2,6-difluoro-N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide (PubChem CID 162676483) has the molecular formula C20H12F5N5O2 and a molecular weight of 449.34 g/mol. Its IUPAC name is 2,6-difluoro-N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide
PubChem CID162676483
Molecular FormulaC20H12F5N5O2
Molecular Weight449.34 g/mol
Exact Mass449.09
IUPAC Name2,6-difluoro-N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide
SMILESCc1noc(-c2cnn(-c3ccc(NC(=O)c4c(F)cccc4F)cc3)c2C(F)(F)F)n1
InChIInChI=1S/C20H12F5N5O2/c1-10-27-19(32-29-10)13-9-26-30(17(13)20(23,24)25)12-7-5-11(6-8-12)28-18(31)16-14(21)3-2-4-15(16)22/h2-9H,1H3,(H,28,31)
InChIKeyKVWZDUSPPACYRZ-UHFFFAOYSA-N
XLogP4.78
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.34
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide (CID 162676483) is 2,6-difluoro-N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide is Cc1noc(-c2cnn(-c3ccc(NC(=O)c4c(F)cccc4F)cc3)c2C(F)(F)F)n1.
What is the InChIKey of 2,6-difluoro-N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide?
The InChIKey is KVWZDUSPPACYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F5N5O2/c1-10-27-19(32-29-10)13-9-26-30(17(13)20(23,24)25)12-7-5-11(6-8-12)28-18(31)16-14(21)3-2-4-15(16)22/h2-9H,1H3,(H,28,31).
What are the key properties of 2,6-difluoro-N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide?
2,6-difluoro-N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide has a molecular weight of 449.34 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide is sourced from PubChem (CID 162676483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).