2-[[5-[(2-oxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylphenyl)propanamide

C22H22N4O3S — CID 75862186

IUPAC2-[[5-[(2-oxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylphenyl)propanamide
SMILESCC(Sc1nnc(CN2CCCC2=O)o1)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C22H22N4O3S/c1-15(30-22-25-24-19(29-22)14-26-13-7-12-20(26)27)21(28)23-18-11-6-5-10-17(18)16-8-3-2-4-9-16/h2-6,8-11,15H,7,12-14H2,1H3,(H,23,28)
InChIKeyFMLPAROEYRVQOG-UHFFFAOYSA-N
MW422.51 g/mol
LogP3.98
Rot. Bonds7

About 2-[[5-[(2-oxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylphenyl)propanamide

2-[[5-[(2-oxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylphenyl)propanamide (PubChem CID 75862186) has the molecular formula C22H22N4O3S and a molecular weight of 422.51 g/mol. Its IUPAC name is 2-[[5-[(2-oxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylphenyl)propanamide.

Molecular Properties

Compound Name2-[[5-[(2-oxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylphenyl)propanamide
PubChem CID75862186
Molecular FormulaC22H22N4O3S
Molecular Weight422.51 g/mol
Exact Mass422.14
IUPAC Name2-[[5-[(2-oxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylphenyl)propanamide
SMILESCC(Sc1nnc(CN2CCCC2=O)o1)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C22H22N4O3S/c1-15(30-22-25-24-19(29-22)14-26-13-7-12-20(26)27)21(28)23-18-11-6-5-10-17(18)16-8-3-2-4-9-16/h2-6,8-11,15H,7,12-14H2,1H3,(H,23,28)
InChIKeyFMLPAROEYRVQOG-UHFFFAOYSA-N
XLogP3.98
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-[[5-[(2-oxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 42885683
(2R)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-phenylphenyl)propanamide
CID 7420206
(2S)-2-[[4-ethyl-5-[(2-oxoazepan-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylphenyl)propanamide
CID 41189869
(2R)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylphenyl)propanamide
CID 7556769
(2R)-2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylphenyl)propanamide
CID 40814740
(2R)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylphenyl)propanamide
CID 40815399
N-benzyl-2-[[5-[(2-oxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 39921985
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-phenylphenyl)propanamide
CID 18075869
methyl 2-[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl]sulfanylacetate
CID 29352228
(2R)-N-(2-phenylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 2532142
(2S)-N-(2-phenylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 2532139
2-butylsulfanyl-N-(2-phenylphenyl)propanamide
CID 112781235

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(2-oxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylphenyl)propanamide?
The IUPAC name of 2-[[5-[(2-oxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylphenyl)propanamide (CID 75862186) is 2-[[5-[(2-oxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylphenyl)propanamide.
What is the SMILES notation for 2-[[5-[(2-oxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylphenyl)propanamide?
The canonical SMILES for 2-[[5-[(2-oxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylphenyl)propanamide is CC(Sc1nnc(CN2CCCC2=O)o1)C(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of 2-[[5-[(2-oxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylphenyl)propanamide?
The InChIKey is FMLPAROEYRVQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3S/c1-15(30-22-25-24-19(29-22)14-26-13-7-12-20(26)27)21(28)23-18-11-6-5-10-17(18)16-8-3-2-4-9-16/h2-6,8-11,15H,7,12-14H2,1H3,(H,23,28).
What are the key properties of 2-[[5-[(2-oxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylphenyl)propanamide?
2-[[5-[(2-oxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylphenyl)propanamide has a molecular weight of 422.51 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(2-oxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylphenyl)propanamide is sourced from PubChem (CID 75862186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).