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

C19H20F3N5O2 — CID 162676458

IUPACN-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1ccc(-n2ncc(-c3nc(C)no3)c2C(F)(F)F)cc1
InChIInChI=1S/C19H20F3N5O2/c1-3-4-5-6-16(28)25-13-7-9-14(10-8-13)27-17(19(20,21)22)15(11-23-27)18-24-12(2)26-29-18/h7-11H,3-6H2,1-2H3,(H,25,28)
InChIKeyBYHSBDKBJQWQPU-UHFFFAOYSA-N
MW407.40 g/mol
LogP4.77
Rot. Bonds7

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

N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]hexanamide (PubChem CID 162676458) has the molecular formula C19H20F3N5O2 and a molecular weight of 407.40 g/mol. Its IUPAC name is N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]hexanamide.

Molecular Properties

Compound NameN-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]hexanamide
PubChem CID162676458
Molecular FormulaC19H20F3N5O2
Molecular Weight407.40 g/mol
Exact Mass407.16
IUPAC NameN-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1ccc(-n2ncc(-c3nc(C)no3)c2C(F)(F)F)cc1
InChIInChI=1S/C19H20F3N5O2/c1-3-4-5-6-16(28)25-13-7-9-14(10-8-13)27-17(19(20,21)22)15(11-23-27)18-24-12(2)26-29-18/h7-11H,3-6H2,1-2H3,(H,25,28)
InChIKeyBYHSBDKBJQWQPU-UHFFFAOYSA-N
XLogP4.77
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.40
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]hexanamide?
The IUPAC name of N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]hexanamide (CID 162676458) is N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]hexanamide.
What is the SMILES notation for N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]hexanamide?
The canonical SMILES for N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]hexanamide is CCCCCC(=O)Nc1ccc(-n2ncc(-c3nc(C)no3)c2C(F)(F)F)cc1.
What is the InChIKey of N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]hexanamide?
The InChIKey is BYHSBDKBJQWQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O2/c1-3-4-5-6-16(28)25-13-7-9-14(10-8-13)27-17(19(20,21)22)15(11-23-27)18-24-12(2)26-29-18/h7-11H,3-6H2,1-2H3,(H,25,28).
What are the key properties of N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]hexanamide?
N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]hexanamide has a molecular weight of 407.40 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]hexanamide is sourced from PubChem (CID 162676458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).