5-(2-bicyclo[2.2.1]heptanyl)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1,2,4-oxadiazole

C14H19N5O — CID 119035943

IUPAC5-(2-bicyclo[2.2.1]heptanyl)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1,2,4-oxadiazole
SMILESCc1nnc(Cc2noc(C3CC4CCC3C4)n2)n1C
InChIInChI=1S/C14H19N5O/c1-8-16-17-13(19(8)2)7-12-15-14(20-18-12)11-6-9-3-4-10(11)5-9/h9-11H,3-7H2,1-2H3
InChIKeyVUKSCHGQOKYWIR-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.00
Rot. Bonds3

About 5-(2-bicyclo[2.2.1]heptanyl)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1,2,4-oxadiazole

5-(2-bicyclo[2.2.1]heptanyl)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1,2,4-oxadiazole (PubChem CID 119035943) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-(2-bicyclo[2.2.1]heptanyl)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-bicyclo[2.2.1]heptanyl)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1,2,4-oxadiazole
PubChem CID119035943
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name5-(2-bicyclo[2.2.1]heptanyl)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1,2,4-oxadiazole
SMILESCc1nnc(Cc2noc(C3CC4CCC3C4)n2)n1C
InChIInChI=1S/C14H19N5O/c1-8-16-17-13(19(8)2)7-12-15-14(20-18-12)11-6-9-3-4-10(11)5-9/h9-11H,3-7H2,1-2H3
InChIKeyVUKSCHGQOKYWIR-UHFFFAOYSA-N
XLogP2.00
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(2-bicyclo[2.2.1]heptanyl)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

1-[5-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 55101607
5-(2-bicyclo[2.2.1]heptanyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 63342879
3-(2-bicyclo[2.2.1]heptanylmethylsulfanylmethyl)-4,5-dimethyl-1,2,4-triazole
CID 84595944
3-(2-bicyclo[2.2.1]heptanyl)-5-(bromomethyl)-4-methyl-1,2,4-triazole
CID 115399854
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-1,2,4-oxadiazole
CID 167874709
1-[5-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine
CID 104636104
3-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 113383352
3-[[5-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 166235865
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]-1,2,4-oxadiazole
CID 97072785
[5-(2-bicyclo[2.2.1]heptanyl)-4-propyl-1,2,4-triazol-3-yl]methanamine
CID 112593751
3-[[5-[(1R,2R)-2-(2,4-difluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 99838182
2-[5-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103972015

Frequently Asked Questions

What is the IUPAC name of 5-(2-bicyclo[2.2.1]heptanyl)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(2-bicyclo[2.2.1]heptanyl)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1,2,4-oxadiazole (CID 119035943) is 5-(2-bicyclo[2.2.1]heptanyl)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-bicyclo[2.2.1]heptanyl)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-bicyclo[2.2.1]heptanyl)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1,2,4-oxadiazole is Cc1nnc(Cc2noc(C3CC4CCC3C4)n2)n1C.
What is the InChIKey of 5-(2-bicyclo[2.2.1]heptanyl)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is VUKSCHGQOKYWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-8-16-17-13(19(8)2)7-12-15-14(20-18-12)11-6-9-3-4-10(11)5-9/h9-11H,3-7H2,1-2H3.
What are the key properties of 5-(2-bicyclo[2.2.1]heptanyl)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1,2,4-oxadiazole?
5-(2-bicyclo[2.2.1]heptanyl)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 273.34 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bicyclo[2.2.1]heptanyl)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 119035943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).