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

C18H24N4O3 — CID 154772154

IUPACtert-butyl N-[cyclobutyl-[3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate
SMILESCc1cncc(-c2noc(C(NC(=O)OC(C)(C)C)C3CCC3)n2)c1
InChIInChI=1S/C18H24N4O3/c1-11-8-13(10-19-9-11)15-21-16(25-22-15)14(12-6-5-7-12)20-17(23)24-18(2,3)4/h8-10,12,14H,5-7H2,1-4H3,(H,20,23)
InChIKeyHBSYOLZGDLNSMZ-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.81
Rot. Bonds4

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

tert-butyl N-[cyclobutyl-[3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate (PubChem CID 154772154) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is tert-butyl N-[cyclobutyl-[3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[cyclobutyl-[3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate
PubChem CID154772154
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Nametert-butyl N-[cyclobutyl-[3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate
SMILESCc1cncc(-c2noc(C(NC(=O)OC(C)(C)C)C3CCC3)n2)c1
InChIInChI=1S/C18H24N4O3/c1-11-8-13(10-19-9-11)15-21-16(25-22-15)14(12-6-5-7-12)20-17(23)24-18(2,3)4/h8-10,12,14H,5-7H2,1-4H3,(H,20,23)
InChIKeyHBSYOLZGDLNSMZ-UHFFFAOYSA-N
XLogP3.81
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[cyclobutyl-[3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[cyclobutyl-[3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate (CID 154772154) is tert-butyl N-[cyclobutyl-[3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[cyclobutyl-[3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[cyclobutyl-[3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate is Cc1cncc(-c2noc(C(NC(=O)OC(C)(C)C)C3CCC3)n2)c1.
What is the InChIKey of tert-butyl N-[cyclobutyl-[3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate?
The InChIKey is HBSYOLZGDLNSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-11-8-13(10-19-9-11)15-21-16(25-22-15)14(12-6-5-7-12)20-17(23)24-18(2,3)4/h8-10,12,14H,5-7H2,1-4H3,(H,20,23).
What are the key properties of tert-butyl N-[cyclobutyl-[3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate?
tert-butyl N-[cyclobutyl-[3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate has a molecular weight of 344.42 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[cyclobutyl-[3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate is sourced from PubChem (CID 154772154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).