5-(2,6-difluorophenyl)-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-1,3,4-oxadiazole-2-carboxamide

C14H12F2N6O2 — CID 167832138

IUPAC5-(2,6-difluorophenyl)-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCCc1n[nH]c(CNC(=O)c2nnc(-c3c(F)cccc3F)o2)n1
InChIInChI=1S/C14H12F2N6O2/c1-2-9-18-10(20-19-9)6-17-12(23)14-22-21-13(24-14)11-7(15)4-3-5-8(11)16/h3-5H,2,6H2,1H3,(H,17,23)(H,18,19,20)
InChIKeyRJACUDNJMKFMMJ-UHFFFAOYSA-N
MW334.29 g/mol
LogP1.63
Rot. Bonds5

About 5-(2,6-difluorophenyl)-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-1,3,4-oxadiazole-2-carboxamide

5-(2,6-difluorophenyl)-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 167832138) has the molecular formula C14H12F2N6O2 and a molecular weight of 334.29 g/mol. Its IUPAC name is 5-(2,6-difluorophenyl)-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(2,6-difluorophenyl)-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID167832138
Molecular FormulaC14H12F2N6O2
Molecular Weight334.29 g/mol
Exact Mass334.10
IUPAC Name5-(2,6-difluorophenyl)-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCCc1n[nH]c(CNC(=O)c2nnc(-c3c(F)cccc3F)o2)n1
InChIInChI=1S/C14H12F2N6O2/c1-2-9-18-10(20-19-9)6-17-12(23)14-22-21-13(24-14)11-7(15)4-3-5-8(11)16/h3-5H,2,6H2,1H3,(H,17,23)(H,18,19,20)
InChIKeyRJACUDNJMKFMMJ-UHFFFAOYSA-N
XLogP1.63
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluorophenyl)-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-(2,6-difluorophenyl)-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-1,3,4-oxadiazole-2-carboxamide (CID 167832138) is 5-(2,6-difluorophenyl)-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-(2,6-difluorophenyl)-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-(2,6-difluorophenyl)-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-1,3,4-oxadiazole-2-carboxamide is CCc1n[nH]c(CNC(=O)c2nnc(-c3c(F)cccc3F)o2)n1.
What is the InChIKey of 5-(2,6-difluorophenyl)-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is RJACUDNJMKFMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N6O2/c1-2-9-18-10(20-19-9)6-17-12(23)14-22-21-13(24-14)11-7(15)4-3-5-8(11)16/h3-5H,2,6H2,1H3,(H,17,23)(H,18,19,20).
What are the key properties of 5-(2,6-difluorophenyl)-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-1,3,4-oxadiazole-2-carboxamide?
5-(2,6-difluorophenyl)-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 334.29 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluorophenyl)-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 167832138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).