tert-butyl N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]carbamate

C12H21N3O5S — CID 113072577

IUPACtert-butyl N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]carbamate
SMILESCc1cc(N(CCNC(=O)OC(C)(C)C)S(C)(=O)=O)no1
InChIInChI=1S/C12H21N3O5S/c1-9-8-10(14-20-9)15(21(5,17)18)7-6-13-11(16)19-12(2,3)4/h8H,6-7H2,1-5H3,(H,13,16)
InChIKeyAEZCBGAIDFMMFU-UHFFFAOYSA-N
MW319.38 g/mol
LogP1.27
Rot. Bonds5

About tert-butyl N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]carbamate

tert-butyl N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]carbamate (PubChem CID 113072577) has the molecular formula C12H21N3O5S and a molecular weight of 319.38 g/mol. Its IUPAC name is tert-butyl N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]carbamate
PubChem CID113072577
Molecular FormulaC12H21N3O5S
Molecular Weight319.38 g/mol
Exact Mass319.12
IUPAC Nametert-butyl N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]carbamate
SMILESCc1cc(N(CCNC(=O)OC(C)(C)C)S(C)(=O)=O)no1
InChIInChI=1S/C12H21N3O5S/c1-9-8-10(14-20-9)15(21(5,17)18)7-6-13-11(16)19-12(2,3)4/h8H,6-7H2,1-5H3,(H,13,16)
InChIKeyAEZCBGAIDFMMFU-UHFFFAOYSA-N
XLogP1.27
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[2-(2,4,6-trimethyl-N-methylsulfonylanilino)ethyl]carbamate
CID 113069490
3,4-difluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]benzamide
CID 113072565
3-fluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]benzamide
CID 113072535
N-(5-methyl-1,2-oxazol-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
CID 113147451
N-[3-(dimethylamino)propyl]-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
CID 113147313
N-(3-methylbutyl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
CID 113147361
3,5-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]-1,2-oxazole-4-sulfonamide
CID 113072605
N-[3-(dimethylamino)propyl]-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide
CID 113157744
N-(2-tert-butylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
CID 113147391
tert-butyl N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]carbamate
CID 113070634
3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 113147322
tert-butyl N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]carbamate
CID 113070014

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]carbamate (CID 113072577) is tert-butyl N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]carbamate is Cc1cc(N(CCNC(=O)OC(C)(C)C)S(C)(=O)=O)no1.
What is the InChIKey of tert-butyl N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]carbamate?
The InChIKey is AEZCBGAIDFMMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O5S/c1-9-8-10(14-20-9)15(21(5,17)18)7-6-13-11(16)19-12(2,3)4/h8H,6-7H2,1-5H3,(H,13,16).
What are the key properties of tert-butyl N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]carbamate?
tert-butyl N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]carbamate has a molecular weight of 319.38 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]carbamate is sourced from PubChem (CID 113072577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).