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

C16H18BrN3O2S — CID 7500463

IUPAC(2R)-2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopentylpropanamide
SMILESC[C@@H](Sc1nnc(-c2ccccc2Br)o1)C(=O)NC1CCCC1
InChIInChI=1S/C16H18BrN3O2S/c1-10(14(21)18-11-6-2-3-7-11)23-16-20-19-15(22-16)12-8-4-5-9-13(12)17/h4-5,8-11H,2-3,6-7H2,1H3,(H,18,21)/t10-/m1/s1
InChIKeyUWYWNJFTYILBFU-SNVBAGLBSA-N
MW396.31 g/mol
LogP4.04
Rot. Bonds5

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

(2R)-2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopentylpropanamide (PubChem CID 7500463) has the molecular formula C16H18BrN3O2S and a molecular weight of 396.31 g/mol. Its IUPAC name is (2R)-2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopentylpropanamide.

Molecular Properties

Compound Name(2R)-2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopentylpropanamide
PubChem CID7500463
Molecular FormulaC16H18BrN3O2S
Molecular Weight396.31 g/mol
Exact Mass395.03
IUPAC Name(2R)-2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopentylpropanamide
SMILESC[C@@H](Sc1nnc(-c2ccccc2Br)o1)C(=O)NC1CCCC1
InChIInChI=1S/C16H18BrN3O2S/c1-10(14(21)18-11-6-2-3-7-11)23-16-20-19-15(22-16)12-8-4-5-9-13(12)17/h4-5,8-11H,2-3,6-7H2,1H3,(H,18,21)/t10-/m1/s1
InChIKeyUWYWNJFTYILBFU-SNVBAGLBSA-N
XLogP4.04
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.31
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-cyclopentyl-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7444175
(2S)-N-cyclopropyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7683068
N-cyclopropyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 78524477
N-cyclohexyl-2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 78797629
(2S)-2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-cyanocyclohexyl)propanamide
CID 40855641
(2R)-2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-cyanocyclohexyl)propanamide
CID 40855642
(2S)-N-cyclopropyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 7459294
(2R)-N-cyclopentyl-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 2472133
(2R)-1-(azepan-1-yl)-2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one
CID 8736641
(2R)-N-cycloheptyl-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 8889642
(2S)-2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclohexylpropanamide
CID 7562787
(2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cycloheptylpropanamide
CID 9382630

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopentylpropanamide?
The IUPAC name of (2R)-2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopentylpropanamide (CID 7500463) is (2R)-2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopentylpropanamide.
What is the SMILES notation for (2R)-2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopentylpropanamide?
The canonical SMILES for (2R)-2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopentylpropanamide is C[C@@H](Sc1nnc(-c2ccccc2Br)o1)C(=O)NC1CCCC1.
What is the InChIKey of (2R)-2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopentylpropanamide?
The InChIKey is UWYWNJFTYILBFU-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H18BrN3O2S/c1-10(14(21)18-11-6-2-3-7-11)23-16-20-19-15(22-16)12-8-4-5-9-13(12)17/h4-5,8-11H,2-3,6-7H2,1H3,(H,18,21)/t10-/m1/s1.
What are the key properties of (2R)-2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopentylpropanamide?
(2R)-2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopentylpropanamide has a molecular weight of 396.31 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopentylpropanamide is sourced from PubChem (CID 7500463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).