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

C18H21BrN4O2S — CID 86925039

IUPAC2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-cyclopropylpiperidin-4-yl)acetamide
SMILESO=C(CSc1nnc(-c2ccccc2Br)o1)NC1CCN(C2CC2)CC1
InChIInChI=1S/C18H21BrN4O2S/c19-15-4-2-1-3-14(15)17-21-22-18(25-17)26-11-16(24)20-12-7-9-23(10-8-12)13-5-6-13/h1-4,12-13H,5-11H2,(H,20,24)
InChIKeyJMGQZWRXRWFMPE-UHFFFAOYSA-N
MW437.36 g/mol
LogP3.33
Rot. Bonds6

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

2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-cyclopropylpiperidin-4-yl)acetamide (PubChem CID 86925039) has the molecular formula C18H21BrN4O2S and a molecular weight of 437.36 g/mol. Its IUPAC name is 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-cyclopropylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-cyclopropylpiperidin-4-yl)acetamide
PubChem CID86925039
Molecular FormulaC18H21BrN4O2S
Molecular Weight437.36 g/mol
Exact Mass436.06
IUPAC Name2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-cyclopropylpiperidin-4-yl)acetamide
SMILESO=C(CSc1nnc(-c2ccccc2Br)o1)NC1CCN(C2CC2)CC1
InChIInChI=1S/C18H21BrN4O2S/c19-15-4-2-1-3-14(15)17-21-22-18(25-17)26-11-16(24)20-12-7-9-23(10-8-12)13-5-6-13/h1-4,12-13H,5-11H2,(H,20,24)
InChIKeyJMGQZWRXRWFMPE-UHFFFAOYSA-N
XLogP3.33
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-cyclopropylpiperidin-4-yl)acetamide with MolForge

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Related Compounds

2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopropylacetamide
CID 9165636
N-cyclopentyl-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 78765869
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide
CID 7500473
ethyl N-[2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]carbamate
CID 3957367
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-chlorophenyl)acetamide
CID 1114537
(2R)-2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopentylpropanamide
CID 7500463
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,5-dichlorophenyl)acetamide
CID 3133373
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-propylphenyl)acetamide
CID 24571112
N-(1-benzylpiperidin-4-yl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 26691415
2-(2-bromophenyl)-5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazole
CID 56734291
N-(1,1-dioxothiolan-3-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4572602
N-(1,3-benzothiazol-2-yl)-2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3989785

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-cyclopropylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-cyclopropylpiperidin-4-yl)acetamide (CID 86925039) is 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-cyclopropylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-cyclopropylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-cyclopropylpiperidin-4-yl)acetamide is O=C(CSc1nnc(-c2ccccc2Br)o1)NC1CCN(C2CC2)CC1.
What is the InChIKey of 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-cyclopropylpiperidin-4-yl)acetamide?
The InChIKey is JMGQZWRXRWFMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN4O2S/c19-15-4-2-1-3-14(15)17-21-22-18(25-17)26-11-16(24)20-12-7-9-23(10-8-12)13-5-6-13/h1-4,12-13H,5-11H2,(H,20,24).
What are the key properties of 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-cyclopropylpiperidin-4-yl)acetamide?
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-cyclopropylpiperidin-4-yl)acetamide has a molecular weight of 437.36 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 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-(1-cyclopropylpiperidin-4-yl)acetamide is sourced from PubChem (CID 86925039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).