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

C15H21N3O4S — CID 23586840

IUPACtert-butyl N-[1-hydroxy-1-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]carbamate
SMILESCCC(NC(=O)OC(C)(C)C)C(O)c1noc(-c2ccsc2)n1
InChIInChI=1S/C15H21N3O4S/c1-5-10(16-14(20)21-15(2,3)4)11(19)12-17-13(22-18-12)9-6-7-23-8-9/h6-8,10-11,19H,5H2,1-4H3,(H,16,20)
InChIKeySQQCGISCTMPIRV-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.13
Rot. Bonds5

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

tert-butyl N-[1-hydroxy-1-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]carbamate (PubChem CID 23586840) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is tert-butyl N-[1-hydroxy-1-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-hydroxy-1-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]carbamate
PubChem CID23586840
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC Nametert-butyl N-[1-hydroxy-1-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]carbamate
SMILESCCC(NC(=O)OC(C)(C)C)C(O)c1noc(-c2ccsc2)n1
InChIInChI=1S/C15H21N3O4S/c1-5-10(16-14(20)21-15(2,3)4)11(19)12-17-13(22-18-12)9-6-7-23-8-9/h6-8,10-11,19H,5H2,1-4H3,(H,16,20)
InChIKeySQQCGISCTMPIRV-UHFFFAOYSA-N
XLogP3.13
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

tert-butyl N-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]carbamate
CID 69427301
tert-butyl N-(4-amino-1-hydroxy-1-thiophen-3-ylbutan-2-yl)carbamate
CID 83927675
tert-butyl N-[(1S,2S)-1-(1,3-benzoxazol-2-yl)-1-hydroxybutan-2-yl]carbamate
CID 129383705
tert-butyl N-[1-hydroxy-1-(1,3-oxazol-2-yl)butan-2-yl]carbamate
CID 21025725
2,2,3-trimethyl-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]butanoic acid
CID 65264570
2-methyl-2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]propane-1,3-diol
CID 75436513
tert-butyl N-[4-(1-thiophen-3-ylethylamino)butan-2-yl]carbamate
CID 103901749
3,3,3-trifluoro-2-methyl-2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]propanoic acid
CID 79790929
tert-butyl N-[1-hydroxy-3-phenyl-1-(thiophene-3-carbonylamino)propan-2-yl]carbamate
CID 70399319
tert-butyl N-[(2S)-1-hydroxy-1-[5-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazol-2-yl]butan-2-yl]carbamate
CID 68823743
tert-butyl N-(2-methoxy-1-thiophen-3-ylethyl)carbamate
CID 135134684
(3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 125180154

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-hydroxy-1-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-hydroxy-1-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]carbamate (CID 23586840) is tert-butyl N-[1-hydroxy-1-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-hydroxy-1-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-hydroxy-1-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]carbamate is CCC(NC(=O)OC(C)(C)C)C(O)c1noc(-c2ccsc2)n1.
What is the InChIKey of tert-butyl N-[1-hydroxy-1-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]carbamate?
The InChIKey is SQQCGISCTMPIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-5-10(16-14(20)21-15(2,3)4)11(19)12-17-13(22-18-12)9-6-7-23-8-9/h6-8,10-11,19H,5H2,1-4H3,(H,16,20).
What are the key properties of tert-butyl N-[1-hydroxy-1-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]carbamate?
tert-butyl N-[1-hydroxy-1-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]carbamate has a molecular weight of 339.42 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-hydroxy-1-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]carbamate is sourced from PubChem (CID 23586840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).