1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[[2-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide

C20H15F3N6O2 — CID 53489862

IUPAC1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[[2-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide
SMILESCc1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccccc4C(F)(F)F)c3)c2)n1
InChIInChI=1S/C20H15F3N6O2/c1-12-27-19(31-28-12)13-6-7-24-17(8-13)29-10-16(26-11-29)18(30)25-9-14-4-2-3-5-15(14)20(21,22)23/h2-8,10-11H,9H2,1H3,(H,25,30)
InChIKeyZWUKLMHGHRFRFK-UHFFFAOYSA-N
MW428.37 g/mol
LogP3.57
Rot. Bonds5

About 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[[2-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide

1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[[2-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide (PubChem CID 53489862) has the molecular formula C20H15F3N6O2 and a molecular weight of 428.37 g/mol. Its IUPAC name is 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[[2-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[[2-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide
PubChem CID53489862
Molecular FormulaC20H15F3N6O2
Molecular Weight428.37 g/mol
Exact Mass428.12
IUPAC Name1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[[2-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide
SMILESCc1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccccc4C(F)(F)F)c3)c2)n1
InChIInChI=1S/C20H15F3N6O2/c1-12-27-19(31-28-12)13-6-7-24-17(8-13)29-10-16(26-11-29)18(30)25-9-14-4-2-3-5-15(14)20(21,22)23/h2-8,10-11H,9H2,1H3,(H,25,30)
InChIKeyZWUKLMHGHRFRFK-UHFFFAOYSA-N
XLogP3.57
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.37
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[[2-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide?
The IUPAC name of 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[[2-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide (CID 53489862) is 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[[2-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[[2-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide?
The canonical SMILES for 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[[2-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide is Cc1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccccc4C(F)(F)F)c3)c2)n1.
What is the InChIKey of 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[[2-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide?
The InChIKey is ZWUKLMHGHRFRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N6O2/c1-12-27-19(31-28-12)13-6-7-24-17(8-13)29-10-16(26-11-29)18(30)25-9-14-4-2-3-5-15(14)20(21,22)23/h2-8,10-11H,9H2,1H3,(H,25,30).
What are the key properties of 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[[2-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide?
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[[2-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide has a molecular weight of 428.37 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[[2-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide is sourced from PubChem (CID 53489862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).