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

C17H23N5O3 — CID 126837653

IUPACtert-butyl N-[1-[5-(4-ethylpyrimidin-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate
SMILESCCc1ncncc1-c1nc(C2(NC(=O)OC(C)(C)C)CCC2)no1
InChIInChI=1S/C17H23N5O3/c1-5-12-11(9-18-10-19-12)13-20-14(22-25-13)17(7-6-8-17)21-15(23)24-16(2,3)4/h9-10H,5-8H2,1-4H3,(H,21,23)
InChIKeyNFFLTOLPAKGIPX-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.99
Rot. Bonds4

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

tert-butyl N-[1-[5-(4-ethylpyrimidin-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate (PubChem CID 126837653) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is tert-butyl N-[1-[5-(4-ethylpyrimidin-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[5-(4-ethylpyrimidin-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate
PubChem CID126837653
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Nametert-butyl N-[1-[5-(4-ethylpyrimidin-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate
SMILESCCc1ncncc1-c1nc(C2(NC(=O)OC(C)(C)C)CCC2)no1
InChIInChI=1S/C17H23N5O3/c1-5-12-11(9-18-10-19-12)13-20-14(22-25-13)17(7-6-8-17)21-15(23)24-16(2,3)4/h9-10H,5-8H2,1-4H3,(H,21,23)
InChIKeyNFFLTOLPAKGIPX-UHFFFAOYSA-N
XLogP2.99
TPSA103.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[5-(4-ethylpyrimidin-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[1-[5-(4-ethylpyrimidin-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate (CID 126837653) is tert-butyl N-[1-[5-(4-ethylpyrimidin-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[5-(4-ethylpyrimidin-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[5-(4-ethylpyrimidin-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate is CCc1ncncc1-c1nc(C2(NC(=O)OC(C)(C)C)CCC2)no1.
What is the InChIKey of tert-butyl N-[1-[5-(4-ethylpyrimidin-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate?
The InChIKey is NFFLTOLPAKGIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-5-12-11(9-18-10-19-12)13-20-14(22-25-13)17(7-6-8-17)21-15(23)24-16(2,3)4/h9-10H,5-8H2,1-4H3,(H,21,23).
What are the key properties of tert-butyl N-[1-[5-(4-ethylpyrimidin-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate?
tert-butyl N-[1-[5-(4-ethylpyrimidin-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate has a molecular weight of 345.40 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[5-(4-ethylpyrimidin-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate is sourced from PubChem (CID 126837653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).