tert-butyl N-[(1R)-1-(3-methyl-2,3-dihydro-1,2,4-oxadiazol-5-yl)-2-methylsulfanylethyl]carbamate

C11H21N3O3S — CID 70918698

IUPACtert-butyl N-[(1R)-1-(3-methyl-2,3-dihydro-1,2,4-oxadiazol-5-yl)-2-methylsulfanylethyl]carbamate
SMILESCSC[C@H](NC(=O)OC(C)(C)C)C1=NC(C)NO1
InChIInChI=1S/C11H21N3O3S/c1-7-12-9(17-14-7)8(6-18-5)13-10(15)16-11(2,3)4/h7-8,14H,6H2,1-5H3,(H,13,15)/t7?,8-/m0/s1
InChIKeyYJTVVDUBRKYNFP-MQWKRIRWSA-N
MW275.37 g/mol
LogP1.52
Rot. Bonds4

About tert-butyl N-[(1R)-1-(3-methyl-2,3-dihydro-1,2,4-oxadiazol-5-yl)-2-methylsulfanylethyl]carbamate

tert-butyl N-[(1R)-1-(3-methyl-2,3-dihydro-1,2,4-oxadiazol-5-yl)-2-methylsulfanylethyl]carbamate (PubChem CID 70918698) has the molecular formula C11H21N3O3S and a molecular weight of 275.37 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-(3-methyl-2,3-dihydro-1,2,4-oxadiazol-5-yl)-2-methylsulfanylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-(3-methyl-2,3-dihydro-1,2,4-oxadiazol-5-yl)-2-methylsulfanylethyl]carbamate
PubChem CID70918698
Molecular FormulaC11H21N3O3S
Molecular Weight275.37 g/mol
Exact Mass275.13
IUPAC Nametert-butyl N-[(1R)-1-(3-methyl-2,3-dihydro-1,2,4-oxadiazol-5-yl)-2-methylsulfanylethyl]carbamate
SMILESCSC[C@H](NC(=O)OC(C)(C)C)C1=NC(C)NO1
InChIInChI=1S/C11H21N3O3S/c1-7-12-9(17-14-7)8(6-18-5)13-10(15)16-11(2,3)4/h7-8,14H,6H2,1-5H3,(H,13,15)/t7?,8-/m0/s1
InChIKeyYJTVVDUBRKYNFP-MQWKRIRWSA-N
XLogP1.52
TPSA71.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[(1R)-1-(3-methyl-2,3-dihydro-1,2,4-oxadiazol-5-yl)-2-methylsulfanylethyl]carbamate with MolForge

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Related Compounds

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tert-butyl N-[(1S)-1-(4-acetylphenyl)-3-methylsulfanylpropyl]carbamate
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2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoic acid
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ethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-methylsulfanylpropanoate
CID 89022620
(2S,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoic acid
CID 154729026
3-(4-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2734583
tert-butyl N-[(1R)-2-hydroxy-1-(4-methylsulfanylphenyl)ethyl]carbamate
CID 142503477
tert-butyl N-[1-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylpropyl]carbamate
CID 3792914
tert-butyl N-[1-(azetidin-3-yl)-2-hydroxyethyl]carbamate
CID 135392522
3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-methylsulfanylphenyl)propanoic acid
CID 2756812
tert-butyl N-[(1R)-2-tert-butylsulfanyl-1-(4-carbamoyl-5-methyl-1,3-oxazol-2-yl)ethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-(3-methyl-2,3-dihydro-1,2,4-oxadiazol-5-yl)-2-methylsulfanylethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-1-(3-methyl-2,3-dihydro-1,2,4-oxadiazol-5-yl)-2-methylsulfanylethyl]carbamate (CID 70918698) is tert-butyl N-[(1R)-1-(3-methyl-2,3-dihydro-1,2,4-oxadiazol-5-yl)-2-methylsulfanylethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-(3-methyl-2,3-dihydro-1,2,4-oxadiazol-5-yl)-2-methylsulfanylethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-(3-methyl-2,3-dihydro-1,2,4-oxadiazol-5-yl)-2-methylsulfanylethyl]carbamate is CSC[C@H](NC(=O)OC(C)(C)C)C1=NC(C)NO1.
What is the InChIKey of tert-butyl N-[(1R)-1-(3-methyl-2,3-dihydro-1,2,4-oxadiazol-5-yl)-2-methylsulfanylethyl]carbamate?
The InChIKey is YJTVVDUBRKYNFP-MQWKRIRWSA-N. The full InChI is InChI=1S/C11H21N3O3S/c1-7-12-9(17-14-7)8(6-18-5)13-10(15)16-11(2,3)4/h7-8,14H,6H2,1-5H3,(H,13,15)/t7?,8-/m0/s1.
What are the key properties of tert-butyl N-[(1R)-1-(3-methyl-2,3-dihydro-1,2,4-oxadiazol-5-yl)-2-methylsulfanylethyl]carbamate?
tert-butyl N-[(1R)-1-(3-methyl-2,3-dihydro-1,2,4-oxadiazol-5-yl)-2-methylsulfanylethyl]carbamate has a molecular weight of 275.37 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-1-(3-methyl-2,3-dihydro-1,2,4-oxadiazol-5-yl)-2-methylsulfanylethyl]carbamate is sourced from PubChem (CID 70918698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).