(2R)-N-cyclopentyl-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

C16H18FN3O2S — CID 7444175

IUPAC(2R)-N-cyclopentyl-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
SMILESC[C@@H](Sc1nnc(-c2ccccc2F)o1)C(=O)NC1CCCC1
InChIInChI=1S/C16H18FN3O2S/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
InChIKeyMLXVQKVPNPYLEB-SNVBAGLBSA-N
MW335.40 g/mol
LogP3.42
Rot. Bonds5

About (2R)-N-cyclopentyl-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

(2R)-N-cyclopentyl-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (PubChem CID 7444175) has the molecular formula C16H18FN3O2S and a molecular weight of 335.40 g/mol. Its IUPAC name is (2R)-N-cyclopentyl-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-N-cyclopentyl-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
PubChem CID7444175
Molecular FormulaC16H18FN3O2S
Molecular Weight335.40 g/mol
Exact Mass335.11
IUPAC Name(2R)-N-cyclopentyl-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
SMILESC[C@@H](Sc1nnc(-c2ccccc2F)o1)C(=O)NC1CCCC1
InChIInChI=1S/C16H18FN3O2S/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
InChIKeyMLXVQKVPNPYLEB-SNVBAGLBSA-N
XLogP3.42
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopentylpropanamide
CID 7500463
(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
(2R)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7444226
(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)-N-cycloheptyl-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 8889642
(2R)-N-(3-chlorophenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7443787
(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
(2S)-2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylpropanamide
CID 40622885

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopentyl-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The IUPAC name of (2R)-N-cyclopentyl-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (CID 7444175) is (2R)-N-cyclopentyl-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for (2R)-N-cyclopentyl-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for (2R)-N-cyclopentyl-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is C[C@@H](Sc1nnc(-c2ccccc2F)o1)C(=O)NC1CCCC1.
What is the InChIKey of (2R)-N-cyclopentyl-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The InChIKey is MLXVQKVPNPYLEB-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H18FN3O2S/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)-N-cyclopentyl-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
(2R)-N-cyclopentyl-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide has a molecular weight of 335.40 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopentyl-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 7444175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).