[1-[[6-methyl-5-[5-[3-methyl-4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]azetidin-3-yl] hydrogen carbonate

C24H28N4O4 — CID 68523934

IUPAC[1-[[6-methyl-5-[5-[3-methyl-4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]azetidin-3-yl] hydrogen carbonate
SMILESCc1cc(-c2nc(-c3ccc(CN4CC(OC(=O)O)C4)nc3C)no2)ccc1CC(C)C
InChIInChI=1S/C24H28N4O4/c1-14(2)9-17-5-6-18(10-15(17)3)23-26-22(27-32-23)21-8-7-19(25-16(21)4)11-28-12-20(13-28)31-24(29)30/h5-8,10,14,20H,9,11-13H2,1-4H3,(H,29,30)
InChIKeyFOBYQTGTRGGVNK-UHFFFAOYSA-N
MW436.51 g/mol
LogP4.49
Rot. Bonds7

About [1-[[6-methyl-5-[5-[3-methyl-4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]azetidin-3-yl] hydrogen carbonate

[1-[[6-methyl-5-[5-[3-methyl-4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]azetidin-3-yl] hydrogen carbonate (PubChem CID 68523934) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is [1-[[6-methyl-5-[5-[3-methyl-4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]azetidin-3-yl] hydrogen carbonate.

Molecular Properties

Compound Name[1-[[6-methyl-5-[5-[3-methyl-4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]azetidin-3-yl] hydrogen carbonate
PubChem CID68523934
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name[1-[[6-methyl-5-[5-[3-methyl-4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]azetidin-3-yl] hydrogen carbonate
SMILESCc1cc(-c2nc(-c3ccc(CN4CC(OC(=O)O)C4)nc3C)no2)ccc1CC(C)C
InChIInChI=1S/C24H28N4O4/c1-14(2)9-17-5-6-18(10-15(17)3)23-26-22(27-32-23)21-8-7-19(25-16(21)4)11-28-12-20(13-28)31-24(29)30/h5-8,10,14,20H,9,11-13H2,1-4H3,(H,29,30)
InChIKeyFOBYQTGTRGGVNK-UHFFFAOYSA-N
XLogP4.49
TPSA101.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[[6-methyl-5-[5-[3-methyl-4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]azetidin-3-yl] hydrogen carbonate?
The IUPAC name of [1-[[6-methyl-5-[5-[3-methyl-4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]azetidin-3-yl] hydrogen carbonate (CID 68523934) is [1-[[6-methyl-5-[5-[3-methyl-4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]azetidin-3-yl] hydrogen carbonate.
What is the SMILES notation for [1-[[6-methyl-5-[5-[3-methyl-4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]azetidin-3-yl] hydrogen carbonate?
The canonical SMILES for [1-[[6-methyl-5-[5-[3-methyl-4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]azetidin-3-yl] hydrogen carbonate is Cc1cc(-c2nc(-c3ccc(CN4CC(OC(=O)O)C4)nc3C)no2)ccc1CC(C)C.
What is the InChIKey of [1-[[6-methyl-5-[5-[3-methyl-4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]azetidin-3-yl] hydrogen carbonate?
The InChIKey is FOBYQTGTRGGVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-14(2)9-17-5-6-18(10-15(17)3)23-26-22(27-32-23)21-8-7-19(25-16(21)4)11-28-12-20(13-28)31-24(29)30/h5-8,10,14,20H,9,11-13H2,1-4H3,(H,29,30).
What are the key properties of [1-[[6-methyl-5-[5-[3-methyl-4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]azetidin-3-yl] hydrogen carbonate?
[1-[[6-methyl-5-[5-[3-methyl-4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]azetidin-3-yl] hydrogen carbonate has a molecular weight of 436.51 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[6-methyl-5-[5-[3-methyl-4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]azetidin-3-yl] hydrogen carbonate is sourced from PubChem (CID 68523934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).