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

C19H22N6O3 — CID 100660254

IUPACtert-butyl N-[1-[5-(5-phenyl-2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2noc(-c3n[nH]nc3-c3ccccc3)n2)CCC1
InChIInChI=1S/C19H22N6O3/c1-18(2,3)27-17(26)21-19(10-7-11-19)16-20-15(28-24-16)14-13(22-25-23-14)12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3,(H,21,26)(H,22,23,25)
InChIKeyHNDKXLGNNLGUKQ-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.43
Rot. Bonds4

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

tert-butyl N-[1-[5-(5-phenyl-2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate (PubChem CID 100660254) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is tert-butyl N-[1-[5-(5-phenyl-2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[5-(5-phenyl-2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate
PubChem CID100660254
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC Nametert-butyl N-[1-[5-(5-phenyl-2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2noc(-c3n[nH]nc3-c3ccccc3)n2)CCC1
InChIInChI=1S/C19H22N6O3/c1-18(2,3)27-17(26)21-19(10-7-11-19)16-20-15(28-24-16)14-13(22-25-23-14)12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3,(H,21,26)(H,22,23,25)
InChIKeyHNDKXLGNNLGUKQ-UHFFFAOYSA-N
XLogP3.43
TPSA118.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[1-[5-(5-phenyl-2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate with MolForge

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Related Compounds

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tert-butyl N-[1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate
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tert-butyl N-[1-[5-[1-(dimethylamino)propyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]carbamate
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tert-butyl N-[1-[4-[3-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-4-oxo-2-phenylpyrano[2,3-c]pyridin-8-yl]phenyl]cyclobutyl]carbamate
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tert-butyl N-[1-[4-[3-phenyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutyl]carbamate
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tert-butyl N-[1-(3-aminophenyl)cyclobutyl]carbamate
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tert-butyl N-[1-[5-(1-methyl-2-oxopiperidin-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[5-(5-phenyl-2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[1-[5-(5-phenyl-2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate (CID 100660254) is tert-butyl N-[1-[5-(5-phenyl-2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[5-(5-phenyl-2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[5-(5-phenyl-2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1(c2noc(-c3n[nH]nc3-c3ccccc3)n2)CCC1.
What is the InChIKey of tert-butyl N-[1-[5-(5-phenyl-2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate?
The InChIKey is HNDKXLGNNLGUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3/c1-18(2,3)27-17(26)21-19(10-7-11-19)16-20-15(28-24-16)14-13(22-25-23-14)12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3,(H,21,26)(H,22,23,25).
What are the key properties of tert-butyl N-[1-[5-(5-phenyl-2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate?
tert-butyl N-[1-[5-(5-phenyl-2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate has a molecular weight of 382.42 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[5-(5-phenyl-2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate is sourced from PubChem (CID 100660254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).