tert-butyl N-[(1S)-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propyl]carbamate

C14H19N3O3S — CID 71968183

IUPACtert-butyl N-[(1S)-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propyl]carbamate
SMILESCC[C@H](NC(=O)OC(C)(C)C)c1nc(-c2ccsc2)no1
InChIInChI=1S/C14H19N3O3S/c1-5-10(15-13(18)19-14(2,3)4)12-16-11(17-20-12)9-6-7-21-8-9/h6-8,10H,5H2,1-4H3,(H,15,18)/t10-/m0/s1
InChIKeyXRNKPPJNSIECCV-JTQLQIEISA-N
MW309.39 g/mol
LogP3.77
Rot. Bonds4

About tert-butyl N-[(1S)-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propyl]carbamate

tert-butyl N-[(1S)-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propyl]carbamate (PubChem CID 71968183) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propyl]carbamate
PubChem CID71968183
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Nametert-butyl N-[(1S)-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propyl]carbamate
SMILESCC[C@H](NC(=O)OC(C)(C)C)c1nc(-c2ccsc2)no1
InChIInChI=1S/C14H19N3O3S/c1-5-10(15-13(18)19-14(2,3)4)12-16-11(17-20-12)9-6-7-21-8-9/h6-8,10H,5H2,1-4H3,(H,15,18)/t10-/m0/s1
InChIKeyXRNKPPJNSIECCV-JTQLQIEISA-N
XLogP3.77
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propyl]carbamate (CID 71968183) is tert-butyl N-[(1S)-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propyl]carbamate is CC[C@H](NC(=O)OC(C)(C)C)c1nc(-c2ccsc2)no1.
What is the InChIKey of tert-butyl N-[(1S)-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propyl]carbamate?
The InChIKey is XRNKPPJNSIECCV-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-5-10(15-13(18)19-14(2,3)4)12-16-11(17-20-12)9-6-7-21-8-9/h6-8,10H,5H2,1-4H3,(H,15,18)/t10-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propyl]carbamate?
tert-butyl N-[(1S)-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propyl]carbamate has a molecular weight of 309.39 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propyl]carbamate is sourced from PubChem (CID 71968183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).