N-[(4,4-difluorocyclohexyl)methyl]-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazole-4-carboxamide

C14H18F2N6O2 — CID 138992291

IUPACN-[(4,4-difluorocyclohexyl)methyl]-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazole-4-carboxamide
SMILESCc1nc(Cn2cc(C(=O)NCC3CCC(F)(F)CC3)nn2)no1
InChIInChI=1S/C14H18F2N6O2/c1-9-18-12(20-24-9)8-22-7-11(19-21-22)13(23)17-6-10-2-4-14(15,16)5-3-10/h7,10H,2-6,8H2,1H3,(H,17,23)
InChIKeyBNOTWMVWLRRDOJ-UHFFFAOYSA-N
MW340.33 g/mol
LogP1.57
Rot. Bonds5

About N-[(4,4-difluorocyclohexyl)methyl]-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazole-4-carboxamide

N-[(4,4-difluorocyclohexyl)methyl]-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazole-4-carboxamide (PubChem CID 138992291) has the molecular formula C14H18F2N6O2 and a molecular weight of 340.33 g/mol. Its IUPAC name is N-[(4,4-difluorocyclohexyl)methyl]-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4,4-difluorocyclohexyl)methyl]-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazole-4-carboxamide
PubChem CID138992291
Molecular FormulaC14H18F2N6O2
Molecular Weight340.33 g/mol
Exact Mass340.15
IUPAC NameN-[(4,4-difluorocyclohexyl)methyl]-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazole-4-carboxamide
SMILESCc1nc(Cn2cc(C(=O)NCC3CCC(F)(F)CC3)nn2)no1
InChIInChI=1S/C14H18F2N6O2/c1-9-18-12(20-24-9)8-22-7-11(19-21-22)13(23)17-6-10-2-4-14(15,16)5-3-10/h7,10H,2-6,8H2,1H3,(H,17,23)
InChIKeyBNOTWMVWLRRDOJ-UHFFFAOYSA-N
XLogP1.57
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4,4-difluorocyclohexyl)methyl]-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazole-4-carboxamide?
The IUPAC name of N-[(4,4-difluorocyclohexyl)methyl]-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazole-4-carboxamide (CID 138992291) is N-[(4,4-difluorocyclohexyl)methyl]-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazole-4-carboxamide.
What is the SMILES notation for N-[(4,4-difluorocyclohexyl)methyl]-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazole-4-carboxamide?
The canonical SMILES for N-[(4,4-difluorocyclohexyl)methyl]-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazole-4-carboxamide is Cc1nc(Cn2cc(C(=O)NCC3CCC(F)(F)CC3)nn2)no1.
What is the InChIKey of N-[(4,4-difluorocyclohexyl)methyl]-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazole-4-carboxamide?
The InChIKey is BNOTWMVWLRRDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N6O2/c1-9-18-12(20-24-9)8-22-7-11(19-21-22)13(23)17-6-10-2-4-14(15,16)5-3-10/h7,10H,2-6,8H2,1H3,(H,17,23).
What are the key properties of N-[(4,4-difluorocyclohexyl)methyl]-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazole-4-carboxamide?
N-[(4,4-difluorocyclohexyl)methyl]-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazole-4-carboxamide has a molecular weight of 340.33 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,4-difluorocyclohexyl)methyl]-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 138992291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).