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

C17H25N5O3 — CID 84583762

IUPACtert-butyl N-[1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate
SMILESCc1cc(C)n(Cc2nc(C3(NC(=O)OC(C)(C)C)CCC3)no2)n1
InChIInChI=1S/C17H25N5O3/c1-11-9-12(2)22(20-11)10-13-18-14(21-25-13)17(7-6-8-17)19-15(23)24-16(3,4)5/h9H,6-8,10H2,1-5H3,(H,19,23)
InChIKeyLYQHVNZXXALKBR-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.84
Rot. Bonds4

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

tert-butyl N-[1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate (PubChem CID 84583762) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is tert-butyl N-[1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate
PubChem CID84583762
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Nametert-butyl N-[1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate
SMILESCc1cc(C)n(Cc2nc(C3(NC(=O)OC(C)(C)C)CCC3)no2)n1
InChIInChI=1S/C17H25N5O3/c1-11-9-12(2)22(20-11)10-13-18-14(21-25-13)17(7-6-8-17)19-15(23)24-16(3,4)5/h9H,6-8,10H2,1-5H3,(H,19,23)
InChIKeyLYQHVNZXXALKBR-UHFFFAOYSA-N
XLogP2.84
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate (CID 84583762) is tert-butyl N-[1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate is Cc1cc(C)n(Cc2nc(C3(NC(=O)OC(C)(C)C)CCC3)no2)n1.
What is the InChIKey of tert-butyl N-[1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate?
The InChIKey is LYQHVNZXXALKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-11-9-12(2)22(20-11)10-13-18-14(21-25-13)17(7-6-8-17)19-15(23)24-16(3,4)5/h9H,6-8,10H2,1-5H3,(H,19,23).
What are the key properties of tert-butyl N-[1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate?
tert-butyl N-[1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate has a molecular weight of 347.42 g/mol, XLogP of 2.84, 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-[(3,5-dimethylpyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate is sourced from PubChem (CID 84583762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).