tert-butyl N-[[5-[difluoro-(5-methyl-2-pyridinyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]carbamate

C15H18F2N4O3 — CID 167968256

IUPACtert-butyl N-[[5-[difluoro-(5-methyl-2-pyridinyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]carbamate
SMILESCc1ccc(C(F)(F)c2nc(CNC(=O)OC(C)(C)C)no2)nc1
InChIInChI=1S/C15H18F2N4O3/c1-9-5-6-10(18-7-9)15(16,17)12-20-11(21-24-12)8-19-13(22)23-14(2,3)4/h5-7H,8H2,1-4H3,(H,19,22)
InChIKeyRIGCKUHVYZBDLM-UHFFFAOYSA-N
MW340.33 g/mol
LogP2.94
Rot. Bonds4

About tert-butyl N-[[5-[difluoro-(5-methyl-2-pyridinyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]carbamate

tert-butyl N-[[5-[difluoro-(5-methyl-2-pyridinyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]carbamate (PubChem CID 167968256) has the molecular formula C15H18F2N4O3 and a molecular weight of 340.33 g/mol. Its IUPAC name is tert-butyl N-[[5-[difluoro-(5-methyl-2-pyridinyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[5-[difluoro-(5-methyl-2-pyridinyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]carbamate
PubChem CID167968256
Molecular FormulaC15H18F2N4O3
Molecular Weight340.33 g/mol
Exact Mass340.13
IUPAC Nametert-butyl N-[[5-[difluoro-(5-methyl-2-pyridinyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]carbamate
SMILESCc1ccc(C(F)(F)c2nc(CNC(=O)OC(C)(C)C)no2)nc1
InChIInChI=1S/C15H18F2N4O3/c1-9-5-6-10(18-7-9)15(16,17)12-20-11(21-24-12)8-19-13(22)23-14(2,3)4/h5-7H,8H2,1-4H3,(H,19,22)
InChIKeyRIGCKUHVYZBDLM-UHFFFAOYSA-N
XLogP2.94
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[5-[difluoro-(5-methyl-2-pyridinyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[5-[difluoro-(5-methyl-2-pyridinyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]carbamate (CID 167968256) is tert-butyl N-[[5-[difluoro-(5-methyl-2-pyridinyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[5-[difluoro-(5-methyl-2-pyridinyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[5-[difluoro-(5-methyl-2-pyridinyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]carbamate is Cc1ccc(C(F)(F)c2nc(CNC(=O)OC(C)(C)C)no2)nc1.
What is the InChIKey of tert-butyl N-[[5-[difluoro-(5-methyl-2-pyridinyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]carbamate?
The InChIKey is RIGCKUHVYZBDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4O3/c1-9-5-6-10(18-7-9)15(16,17)12-20-11(21-24-12)8-19-13(22)23-14(2,3)4/h5-7H,8H2,1-4H3,(H,19,22).
What are the key properties of tert-butyl N-[[5-[difluoro-(5-methyl-2-pyridinyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]carbamate?
tert-butyl N-[[5-[difluoro-(5-methyl-2-pyridinyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]carbamate has a molecular weight of 340.33 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[5-[difluoro-(5-methyl-2-pyridinyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]carbamate is sourced from PubChem (CID 167968256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).