2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenylbutan-2-yl)acetamide

C19H21N3O3S — CID 42894215

IUPAC2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenylbutan-2-yl)acetamide
SMILESCc1occc1-c1nnc(SCC(=O)NC(C)CCc2ccccc2)o1
InChIInChI=1S/C19H21N3O3S/c1-13(8-9-15-6-4-3-5-7-15)20-17(23)12-26-19-22-21-18(25-19)16-10-11-24-14(16)2/h3-7,10-11,13H,8-9,12H2,1-2H3,(H,20,23)
InChIKeySVLJVCMNVXRIAG-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.87
Rot. Bonds8

About 2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenylbutan-2-yl)acetamide

2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenylbutan-2-yl)acetamide (PubChem CID 42894215) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenylbutan-2-yl)acetamide
PubChem CID42894215
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenylbutan-2-yl)acetamide
SMILESCc1occc1-c1nnc(SCC(=O)NC(C)CCc2ccccc2)o1
InChIInChI=1S/C19H21N3O3S/c1-13(8-9-15-6-4-3-5-7-15)20-17(23)12-26-19-22-21-18(25-19)16-10-11-24-14(16)2/h3-7,10-11,13H,8-9,12H2,1-2H3,(H,20,23)
InChIKeySVLJVCMNVXRIAG-UHFFFAOYSA-N
XLogP3.87
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenylbutan-2-yl)acetamide?
The IUPAC name of 2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenylbutan-2-yl)acetamide (CID 42894215) is 2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenylbutan-2-yl)acetamide?
The canonical SMILES for 2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenylbutan-2-yl)acetamide is Cc1occc1-c1nnc(SCC(=O)NC(C)CCc2ccccc2)o1.
What is the InChIKey of 2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenylbutan-2-yl)acetamide?
The InChIKey is SVLJVCMNVXRIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-13(8-9-15-6-4-3-5-7-15)20-17(23)12-26-19-22-21-18(25-19)16-10-11-24-14(16)2/h3-7,10-11,13H,8-9,12H2,1-2H3,(H,20,23).
What are the key properties of 2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenylbutan-2-yl)acetamide?
2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenylbutan-2-yl)acetamide has a molecular weight of 371.46 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenylbutan-2-yl)acetamide is sourced from PubChem (CID 42894215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).