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

C24H21N3O2S — CID 7420206

IUPAC(2R)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-phenylphenyl)propanamide
SMILESC[C@@H](Sc1nnc(Cc2ccccc2)o1)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C24H21N3O2S/c1-17(30-24-27-26-22(29-24)16-18-10-4-2-5-11-18)23(28)25-21-15-9-8-14-20(21)19-12-6-3-7-13-19/h2-15,17H,16H2,1H3,(H,25,28)/t17-/m1/s1
InChIKeyNQLPGRZSDLDTLQ-QGZVFWFLSA-N
MW415.52 g/mol
LogP5.45
Rot. Bonds7

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

(2R)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-phenylphenyl)propanamide (PubChem CID 7420206) has the molecular formula C24H21N3O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is (2R)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-phenylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-phenylphenyl)propanamide
PubChem CID7420206
Molecular FormulaC24H21N3O2S
Molecular Weight415.52 g/mol
Exact Mass415.14
IUPAC Name(2R)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-phenylphenyl)propanamide
SMILESC[C@@H](Sc1nnc(Cc2ccccc2)o1)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C24H21N3O2S/c1-17(30-24-27-26-22(29-24)16-18-10-4-2-5-11-18)23(28)25-21-15-9-8-14-20(21)19-12-6-3-7-13-19/h2-15,17H,16H2,1H3,(H,25,28)/t17-/m1/s1
InChIKeyNQLPGRZSDLDTLQ-QGZVFWFLSA-N
XLogP5.45
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.52
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylphenyl)propanamide
CID 7556769
2-[[5-[(2-oxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylphenyl)propanamide
CID 75862186
(2S)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-chloro-4-fluorophenyl)propanamide
CID 7994650
(2R)-2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylphenyl)propanamide
CID 40814740
(2R)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 40847519
(2R)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylphenyl)propanamide
CID 40815399
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-phenylphenyl)propanamide
CID 18075869
2-methylsulfanyl-N-(2-phenylphenyl)propanamide
CID 43077390
(2R)-N-(2-phenylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 40550522
(2S)-N-(2-phenylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 2532139
(2R)-N-(2-phenylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 2532142
(2S)-N-(2-methoxy-5-methylphenyl)-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 8854255

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-phenylphenyl)propanamide?
The IUPAC name of (2R)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-phenylphenyl)propanamide (CID 7420206) is (2R)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-phenylphenyl)propanamide.
What is the SMILES notation for (2R)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-phenylphenyl)propanamide?
The canonical SMILES for (2R)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-phenylphenyl)propanamide is C[C@@H](Sc1nnc(Cc2ccccc2)o1)C(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of (2R)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-phenylphenyl)propanamide?
The InChIKey is NQLPGRZSDLDTLQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H21N3O2S/c1-17(30-24-27-26-22(29-24)16-18-10-4-2-5-11-18)23(28)25-21-15-9-8-14-20(21)19-12-6-3-7-13-19/h2-15,17H,16H2,1H3,(H,25,28)/t17-/m1/s1.
What are the key properties of (2R)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-phenylphenyl)propanamide?
(2R)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-phenylphenyl)propanamide has a molecular weight of 415.52 g/mol, XLogP of 5.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-phenylphenyl)propanamide is sourced from PubChem (CID 7420206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).