methyl 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate

C9H14N2O3S — CID 23006648

IUPACmethyl 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate
SMILESCOC(=O)CSc1nnc(C(C)(C)C)o1
InChIInChI=1S/C9H14N2O3S/c1-9(2,3)7-10-11-8(14-7)15-5-6(12)13-4/h5H2,1-4H3
InChIKeyRWMQFLKOCDOXCB-UHFFFAOYSA-N
MW230.29 g/mol
LogP1.63
Rot. Bonds3

About methyl 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate

methyl 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate (PubChem CID 23006648) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is methyl 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate
PubChem CID23006648
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Namemethyl 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate
SMILESCOC(=O)CSc1nnc(C(C)(C)C)o1
InChIInChI=1S/C9H14N2O3S/c1-9(2,3)7-10-11-8(14-7)15-5-6(12)13-4/h5H2,1-4H3
InChIKeyRWMQFLKOCDOXCB-UHFFFAOYSA-N
XLogP1.63
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N,N-diethylacetamide
CID 52639316
methyl 2-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 23006660
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2-methylphenyl)ethanone
CID 87019855
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-iodophenyl)acetamide
CID 55765204
methyl 2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 859580
methyl 2-[[5-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 9125159
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,5-dichlorophenyl)acetamide
CID 55765016
methyl 2-[[5-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 4896272
methyl 2-[[5-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 22694244
ethyl 4-[2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 55866645
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,6-dibromo-4-nitrophenyl)acetamide
CID 55869474
methyl 2-[[5-(2,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 23006785

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate?
The IUPAC name of methyl 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate (CID 23006648) is methyl 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate.
What is the SMILES notation for methyl 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate?
The canonical SMILES for methyl 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate is COC(=O)CSc1nnc(C(C)(C)C)o1.
What is the InChIKey of methyl 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate?
The InChIKey is RWMQFLKOCDOXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-9(2,3)7-10-11-8(14-7)15-5-6(12)13-4/h5H2,1-4H3.
What are the key properties of methyl 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate?
methyl 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate has a molecular weight of 230.29 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate is sourced from PubChem (CID 23006648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).