methyl 4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)butanoate

C11H19N3O3S — CID 63033462

IUPACmethyl 4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)butanoate
SMILESCOC(=O)C(CCSc1nnc(C)o1)NC(C)C
InChIInChI=1S/C11H19N3O3S/c1-7(2)12-9(10(15)16-4)5-6-18-11-14-13-8(3)17-11/h7,9,12H,5-6H2,1-4H3
InChIKeyUUGKBPAOJDKQHF-UHFFFAOYSA-N
MW273.36 g/mol
LogP1.40
Rot. Bonds7

About methyl 4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)butanoate

methyl 4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)butanoate (PubChem CID 63033462) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is methyl 4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)butanoate
PubChem CID63033462
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Namemethyl 4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)butanoate
SMILESCOC(=O)C(CCSc1nnc(C)o1)NC(C)C
InChIInChI=1S/C11H19N3O3S/c1-7(2)12-9(10(15)16-4)5-6-18-11-14-13-8(3)17-11/h7,9,12H,5-6H2,1-4H3
InChIKeyUUGKBPAOJDKQHF-UHFFFAOYSA-N
XLogP1.40
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)butanoate?
The IUPAC name of methyl 4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)butanoate (CID 63033462) is methyl 4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)butanoate.
What is the SMILES notation for methyl 4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)butanoate?
The canonical SMILES for methyl 4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)butanoate is COC(=O)C(CCSc1nnc(C)o1)NC(C)C.
What is the InChIKey of methyl 4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)butanoate?
The InChIKey is UUGKBPAOJDKQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-7(2)12-9(10(15)16-4)5-6-18-11-14-13-8(3)17-11/h7,9,12H,5-6H2,1-4H3.
What are the key properties of methyl 4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)butanoate?
methyl 4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)butanoate has a molecular weight of 273.36 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)butanoate is sourced from PubChem (CID 63033462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).