[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate

C15H23N3O5S — CID 7362313

IUPAC[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate
SMILESCc1noc(C)c1CSCC(=O)OCC(=O)NC(=O)NC(C)(C)C
InChIInChI=1S/C15H23N3O5S/c1-9-11(10(2)23-18-9)7-24-8-13(20)22-6-12(19)16-14(21)17-15(3,4)5/h6-8H2,1-5H3,(H2,16,17,19,21)
InChIKeyTUVAQYIUNLOICB-UHFFFAOYSA-N
MW357.43 g/mol
LogP1.69
Rot. Bonds6

About [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate

[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate (PubChem CID 7362313) has the molecular formula C15H23N3O5S and a molecular weight of 357.43 g/mol. Its IUPAC name is [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate.

Molecular Properties

Compound Name[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate
PubChem CID7362313
Molecular FormulaC15H23N3O5S
Molecular Weight357.43 g/mol
Exact Mass357.14
IUPAC Name[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate
SMILESCc1noc(C)c1CSCC(=O)OCC(=O)NC(=O)NC(C)(C)C
InChIInChI=1S/C15H23N3O5S/c1-9-11(10(2)23-18-9)7-24-8-13(20)22-6-12(19)16-14(21)17-15(3,4)5/h6-8H2,1-5H3,(H2,16,17,19,21)
InChIKeyTUVAQYIUNLOICB-UHFFFAOYSA-N
XLogP1.69
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate?
The IUPAC name of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate (CID 7362313) is [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate.
What is the SMILES notation for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate?
The canonical SMILES for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate is Cc1noc(C)c1CSCC(=O)OCC(=O)NC(=O)NC(C)(C)C.
What is the InChIKey of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate?
The InChIKey is TUVAQYIUNLOICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O5S/c1-9-11(10(2)23-18-9)7-24-8-13(20)22-6-12(19)16-14(21)17-15(3,4)5/h6-8H2,1-5H3,(H2,16,17,19,21).
What are the key properties of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate?
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate has a molecular weight of 357.43 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate is sourced from PubChem (CID 7362313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).