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

C16H17BrN4O3S — CID 4316553

IUPAC2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(cyclopentylcarbamoyl)acetamide
SMILESO=C(CSc1nnc(-c2ccccc2Br)o1)NC(=O)NC1CCCC1
InChIInChI=1S/C16H17BrN4O3S/c17-12-8-4-3-7-11(12)14-20-21-16(24-14)25-9-13(22)19-15(23)18-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2,(H2,18,19,22,23)
InChIKeySCQLBYQZPSWWQJ-UHFFFAOYSA-N
MW425.31 g/mol
LogP3.36
Rot. Bonds5

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

2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(cyclopentylcarbamoyl)acetamide (PubChem CID 4316553) has the molecular formula C16H17BrN4O3S and a molecular weight of 425.31 g/mol. Its IUPAC name is 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(cyclopentylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(cyclopentylcarbamoyl)acetamide
PubChem CID4316553
Molecular FormulaC16H17BrN4O3S
Molecular Weight425.31 g/mol
Exact Mass424.02
IUPAC Name2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(cyclopentylcarbamoyl)acetamide
SMILESO=C(CSc1nnc(-c2ccccc2Br)o1)NC(=O)NC1CCCC1
InChIInChI=1S/C16H17BrN4O3S/c17-12-8-4-3-7-11(12)14-20-21-16(24-14)25-9-13(22)19-15(23)18-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2,(H2,18,19,22,23)
InChIKeySCQLBYQZPSWWQJ-UHFFFAOYSA-N
XLogP3.36
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.31
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-Cyclopentyl-2-(5-m-tolyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CID 861643
N-cyclohexyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]acetamide
CID 697199
3-[[5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 2999998
N-Cyclopentyl-2-[5-(3-fluoro-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide
CID 859877
N-Cyclopentyl-2-[5-(4-fluoro-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide
CID 859923
N-cyclopentyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 861616
N-Cyclopentyl-2-(5-o-tolyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CID 861662
1-[2-[[5-(3-Bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one
CID 9394264
N-cyclopentyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 16315703
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methylbutylcarbamoyl)acetamide
CID 2531489
N-(methylcarbamoyl)-2-phenyl-2-((5-(p-tolyl)-1,3,4-oxadiazol-2-yl)thio)acetamide
CID 16272610
N-methyl-N'-{[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl}urea
CID 736611

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(cyclopentylcarbamoyl)acetamide?
The IUPAC name of 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(cyclopentylcarbamoyl)acetamide (CID 4316553) is 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(cyclopentylcarbamoyl)acetamide.
What is the SMILES notation for 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(cyclopentylcarbamoyl)acetamide?
The canonical SMILES for 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(cyclopentylcarbamoyl)acetamide is O=C(CSc1nnc(-c2ccccc2Br)o1)NC(=O)NC1CCCC1.
What is the InChIKey of 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(cyclopentylcarbamoyl)acetamide?
The InChIKey is SCQLBYQZPSWWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN4O3S/c17-12-8-4-3-7-11(12)14-20-21-16(24-14)25-9-13(22)19-15(23)18-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2,(H2,18,19,22,23).
What are the key properties of 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(cyclopentylcarbamoyl)acetamide?
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(cyclopentylcarbamoyl)acetamide has a molecular weight of 425.31 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(cyclopentylcarbamoyl)acetamide is sourced from PubChem (CID 4316553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).