2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopentylacetamide

C15H16BrN3O2S — CID 2958550

IUPAC2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopentylacetamide
SMILESO=C(CSc1nnc(-c2ccc(Br)cc2)o1)NC1CCCC1
InChIInChI=1S/C15H16BrN3O2S/c16-11-7-5-10(6-8-11)14-18-19-15(21-14)22-9-13(20)17-12-3-1-2-4-12/h5-8,12H,1-4,9H2,(H,17,20)
InChIKeyMBDMTFXNKUWZKY-UHFFFAOYSA-N
MW382.28 g/mol
LogP3.65
Rot. Bonds5

About 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopentylacetamide

2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopentylacetamide (PubChem CID 2958550) has the molecular formula C15H16BrN3O2S and a molecular weight of 382.28 g/mol. Its IUPAC name is 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopentylacetamide
PubChem CID2958550
Molecular FormulaC15H16BrN3O2S
Molecular Weight382.28 g/mol
Exact Mass381.01
IUPAC Name2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopentylacetamide
SMILESO=C(CSc1nnc(-c2ccc(Br)cc2)o1)NC1CCCC1
InChIInChI=1S/C15H16BrN3O2S/c16-11-7-5-10(6-8-11)14-18-19-15(21-14)22-9-13(20)17-12-3-1-2-4-12/h5-8,12H,1-4,9H2,(H,17,20)
InChIKeyMBDMTFXNKUWZKY-UHFFFAOYSA-N
XLogP3.65
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.28
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopentylacetamide?
The IUPAC name of 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopentylacetamide (CID 2958550) is 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopentylacetamide?
The canonical SMILES for 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopentylacetamide is O=C(CSc1nnc(-c2ccc(Br)cc2)o1)NC1CCCC1.
What is the InChIKey of 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopentylacetamide?
The InChIKey is MBDMTFXNKUWZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O2S/c16-11-7-5-10(6-8-11)14-18-19-15(21-14)22-9-13(20)17-12-3-1-2-4-12/h5-8,12H,1-4,9H2,(H,17,20).
What are the key properties of 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopentylacetamide?
2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopentylacetamide has a molecular weight of 382.28 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopentylacetamide is sourced from PubChem (CID 2958550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).