(2S)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-chloro-4-fluorophenyl)propanamide

C18H15ClFN3O2S — CID 7994650

IUPAC(2S)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-chloro-4-fluorophenyl)propanamide
SMILESC[C@H](Sc1nnc(Cc2ccccc2)o1)C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C18H15ClFN3O2S/c1-11(17(24)21-15-8-7-13(20)10-14(15)19)26-18-23-22-16(25-18)9-12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3,(H,21,24)/t11-/m0/s1
InChIKeyBEJVCCOLHQBXOY-NSHDSACASA-N
MW391.86 g/mol
LogP4.57
Rot. Bonds6

About (2S)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-chloro-4-fluorophenyl)propanamide

(2S)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-chloro-4-fluorophenyl)propanamide (PubChem CID 7994650) has the molecular formula C18H15ClFN3O2S and a molecular weight of 391.86 g/mol. Its IUPAC name is (2S)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-chloro-4-fluorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-chloro-4-fluorophenyl)propanamide
PubChem CID7994650
Molecular FormulaC18H15ClFN3O2S
Molecular Weight391.86 g/mol
Exact Mass391.06
IUPAC Name(2S)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-chloro-4-fluorophenyl)propanamide
SMILESC[C@H](Sc1nnc(Cc2ccccc2)o1)C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C18H15ClFN3O2S/c1-11(17(24)21-15-8-7-13(20)10-14(15)19)26-18-23-22-16(25-18)9-12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3,(H,21,24)/t11-/m0/s1
InChIKeyBEJVCCOLHQBXOY-NSHDSACASA-N
XLogP4.57
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-chloro-4-fluorophenyl)propanamide with MolForge

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Related Compounds

(2R)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 40847519
(2R)-N-(2-chloro-4-fluorophenyl)-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7810492
(2R)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-phenylphenyl)propanamide
CID 7420206
(2R)-2-benzylsulfanyl-N-(2-chloro-4-fluorophenyl)propanamide
CID 7377182
(2S)-N-(2-chloro-4-fluorophenyl)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7794608
(2R)-N-(3-fluorophenyl)-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 8854214
(2R)-2-(4-benzylpyridin-1-ium-1-yl)-N-(2-chloro-4-fluorophenyl)propanamide
CID 8859904
N-(2-chloro-4-fluorophenyl)-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7800889
(2S)-2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloro-4-fluorophenyl)propanamide
CID 9272935
N-(2,4-difluorophenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 84865788
(2S)-N-(2-chlorophenyl)-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 9308008
(2S)-N-(2,4-dichlorophenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7682860

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-chloro-4-fluorophenyl)propanamide?
The IUPAC name of (2S)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-chloro-4-fluorophenyl)propanamide (CID 7994650) is (2S)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-chloro-4-fluorophenyl)propanamide.
What is the SMILES notation for (2S)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-chloro-4-fluorophenyl)propanamide?
The canonical SMILES for (2S)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-chloro-4-fluorophenyl)propanamide is C[C@H](Sc1nnc(Cc2ccccc2)o1)C(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of (2S)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-chloro-4-fluorophenyl)propanamide?
The InChIKey is BEJVCCOLHQBXOY-NSHDSACASA-N. The full InChI is InChI=1S/C18H15ClFN3O2S/c1-11(17(24)21-15-8-7-13(20)10-14(15)19)26-18-23-22-16(25-18)9-12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3,(H,21,24)/t11-/m0/s1.
What are the key properties of (2S)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-chloro-4-fluorophenyl)propanamide?
(2S)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-chloro-4-fluorophenyl)propanamide has a molecular weight of 391.86 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-chloro-4-fluorophenyl)propanamide is sourced from PubChem (CID 7994650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).