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

C15H18N2O2S — CID 87019855

IUPAC2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2-methylphenyl)ethanone
SMILESCc1ccccc1C(=O)CSc1nnc(C(C)(C)C)o1
InChIInChI=1S/C15H18N2O2S/c1-10-7-5-6-8-11(10)12(18)9-20-14-17-16-13(19-14)15(2,3)4/h5-8H,9H2,1-4H3
InChIKeyQQSULKFBROZQNA-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.65
Rot. Bonds4

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

2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2-methylphenyl)ethanone (PubChem CID 87019855) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2-methylphenyl)ethanone
PubChem CID87019855
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2-methylphenyl)ethanone
SMILESCc1ccccc1C(=O)CSc1nnc(C(C)(C)C)o1
InChIInChI=1S/C15H18N2O2S/c1-10-7-5-6-8-11(10)12(18)9-20-14-17-16-13(19-14)15(2,3)4/h5-8H,9H2,1-4H3
InChIKeyQQSULKFBROZQNA-UHFFFAOYSA-N
XLogP3.65
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 60519637
1-(2-methylphenyl)-2-pyrimidin-2-ylsulfanylethanone
CID 43802511
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-iodophenyl)acetamide
CID 55765204
methyl 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate
CID 23006648
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N,N-diethylacetamide
CID 52639316
2-[[2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-N-cyclopentylbenzamide
CID 55764860
1-(2-chlorophenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 7816154
1-(2-methylphenyl)-2-methylsulfanylethanone
CID 14815227
1-(2-fluorophenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 861626
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(9,10-dioxoanthracen-1-yl)acetamide
CID 55764742
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide
CID 55765080
6-[2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-3,4-dihydro-1H-quinolin-2-one
CID 71939820

Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2-methylphenyl)ethanone?
The IUPAC name of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2-methylphenyl)ethanone (CID 87019855) is 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2-methylphenyl)ethanone.
What is the SMILES notation for 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2-methylphenyl)ethanone?
The canonical SMILES for 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2-methylphenyl)ethanone is Cc1ccccc1C(=O)CSc1nnc(C(C)(C)C)o1.
What is the InChIKey of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2-methylphenyl)ethanone?
The InChIKey is QQSULKFBROZQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-10-7-5-6-8-11(10)12(18)9-20-14-17-16-13(19-14)15(2,3)4/h5-8H,9H2,1-4H3.
What are the key properties of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2-methylphenyl)ethanone?
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2-methylphenyl)ethanone has a molecular weight of 290.39 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2-methylphenyl)ethanone is sourced from PubChem (CID 87019855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).