tert-butyl N-[2-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]carbamate

C13H23N3O4 — CID 70853467

IUPACtert-butyl N-[2-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1noc(C(C)(C)CO)n1
InChIInChI=1S/C13H23N3O4/c1-12(2,3)19-11(18)14-7-6-9-15-10(20-16-9)13(4,5)8-17/h17H,6-8H2,1-5H3,(H,14,18)
InChIKeyQCSCPWREUKNPLC-UHFFFAOYSA-N
MW285.34 g/mol
LogP1.41
Rot. Bonds5

About tert-butyl N-[2-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]carbamate

tert-butyl N-[2-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]carbamate (PubChem CID 70853467) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is tert-butyl N-[2-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]carbamate
PubChem CID70853467
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Nametert-butyl N-[2-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1noc(C(C)(C)CO)n1
InChIInChI=1S/C13H23N3O4/c1-12(2,3)19-11(18)14-7-6-9-15-10(20-16-9)13(4,5)8-17/h17H,6-8H2,1-5H3,(H,14,18)
InChIKeyQCSCPWREUKNPLC-UHFFFAOYSA-N
XLogP1.41
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[2-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]carbamate with MolForge

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Related Compounds

2-[5-[2-(dimethylamino)propan-2-yl]-1,2,4-oxadiazol-3-yl]ethylcarbamic acid
CID 68754902
tert-butyl N-[2-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]phenyl]ethyl]carbamate
CID 11166151
tert-butyl N-(2-pyrimidin-2-ylethyl)carbamate
CID 96537570
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-ethylbutanamide
CID 110294284
5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-3-carboxylic acid
CID 67426969
1-(6-bromo-1,3-benzothiazol-2-yl)-3-[2-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea
CID 87562459
tert-butyl N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate
CID 171336753
tert-butyl 2-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate
CID 110632769
[(1S)-1-amino-1-[3-(cyclohexylmethyl)-1,2,4-oxadiazol-5-yl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl] acetate
CID 138689080
tert-butyl N-[2-(5-tert-butyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
CID 77231283
tert-butyl N-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propyl]carbamate
CID 106391476
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methoxybenzamide
CID 110294299

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]carbamate (CID 70853467) is tert-butyl N-[2-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]carbamate is CC(C)(C)OC(=O)NCCc1noc(C(C)(C)CO)n1.
What is the InChIKey of tert-butyl N-[2-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]carbamate?
The InChIKey is QCSCPWREUKNPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-12(2,3)19-11(18)14-7-6-9-15-10(20-16-9)13(4,5)8-17/h17H,6-8H2,1-5H3,(H,14,18).
What are the key properties of tert-butyl N-[2-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]carbamate?
tert-butyl N-[2-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]carbamate has a molecular weight of 285.34 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]carbamate is sourced from PubChem (CID 70853467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).