5-[5-carbamoyl-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]phenyl]-1,2,4-oxadiazole-3-carboxamide

C23H20F3N7O4 — CID 58243598

IUPAC5-[5-carbamoyl-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]phenyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCn1c(-c2ccccc2C(F)(F)F)nnc1C(C)(C)Oc1ccc(C(N)=O)cc1-c1nc(C(N)=O)no1
InChIInChI=1S/C23H20F3N7O4/c1-22(2,21-31-30-19(33(21)3)12-6-4-5-7-14(12)23(24,25)26)36-15-9-8-11(16(27)34)10-13(15)20-29-18(17(28)35)32-37-20/h4-10H,1-3H3,(H2,27,34)(H2,28,35)
InChIKeyVCTGMEJUAQOGAX-UHFFFAOYSA-N
MW515.45 g/mol
LogP3.06
Rot. Bonds7

About 5-[5-carbamoyl-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]phenyl]-1,2,4-oxadiazole-3-carboxamide

5-[5-carbamoyl-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]phenyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 58243598) has the molecular formula C23H20F3N7O4 and a molecular weight of 515.45 g/mol. Its IUPAC name is 5-[5-carbamoyl-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]phenyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[5-carbamoyl-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]phenyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID58243598
Molecular FormulaC23H20F3N7O4
Molecular Weight515.45 g/mol
Exact Mass515.15
IUPAC Name5-[5-carbamoyl-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]phenyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCn1c(-c2ccccc2C(F)(F)F)nnc1C(C)(C)Oc1ccc(C(N)=O)cc1-c1nc(C(N)=O)no1
InChIInChI=1S/C23H20F3N7O4/c1-22(2,21-31-30-19(33(21)3)12-6-4-5-7-14(12)23(24,25)26)36-15-9-8-11(16(27)34)10-13(15)20-29-18(17(28)35)32-37-20/h4-10H,1-3H3,(H2,27,34)(H2,28,35)
InChIKeyVCTGMEJUAQOGAX-UHFFFAOYSA-N
XLogP3.06
TPSA165.04 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.45
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[5-carbamoyl-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]phenyl]-1,2,4-oxadiazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-carbamoyl-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]phenyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[5-carbamoyl-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]phenyl]-1,2,4-oxadiazole-3-carboxamide (CID 58243598) is 5-[5-carbamoyl-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]phenyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[5-carbamoyl-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]phenyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[5-carbamoyl-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]phenyl]-1,2,4-oxadiazole-3-carboxamide is Cn1c(-c2ccccc2C(F)(F)F)nnc1C(C)(C)Oc1ccc(C(N)=O)cc1-c1nc(C(N)=O)no1.
What is the InChIKey of 5-[5-carbamoyl-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]phenyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is VCTGMEJUAQOGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N7O4/c1-22(2,21-31-30-19(33(21)3)12-6-4-5-7-14(12)23(24,25)26)36-15-9-8-11(16(27)34)10-13(15)20-29-18(17(28)35)32-37-20/h4-10H,1-3H3,(H2,27,34)(H2,28,35).
What are the key properties of 5-[5-carbamoyl-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]phenyl]-1,2,4-oxadiazole-3-carboxamide?
5-[5-carbamoyl-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]phenyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 515.45 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-carbamoyl-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]phenyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 58243598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).