(2R)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(2,4,5-trichlorophenyl)propanamide

C24H17Cl3N2O2S — CID 2378056

IUPAC(2R)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(2,4,5-trichlorophenyl)propanamide
SMILESC[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C24H17Cl3N2O2S/c1-14(23(30)28-20-13-18(26)17(25)12-19(20)27)32-24-29-21(15-8-4-2-5-9-15)22(31-24)16-10-6-3-7-11-16/h2-14H,1H3,(H,28,30)/t14-/m1/s1
InChIKeyXZRHSCHHNJTQRM-CQSZACIVSA-N
MW503.84 g/mol
LogP8.09
Rot. Bonds6

About (2R)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(2,4,5-trichlorophenyl)propanamide

(2R)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(2,4,5-trichlorophenyl)propanamide (PubChem CID 2378056) has the molecular formula C24H17Cl3N2O2S and a molecular weight of 503.84 g/mol. Its IUPAC name is (2R)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(2,4,5-trichlorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(2,4,5-trichlorophenyl)propanamide
PubChem CID2378056
Molecular FormulaC24H17Cl3N2O2S
Molecular Weight503.84 g/mol
Exact Mass502.01
IUPAC Name(2R)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(2,4,5-trichlorophenyl)propanamide
SMILESC[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C24H17Cl3N2O2S/c1-14(23(30)28-20-13-18(26)17(25)12-19(20)27)32-24-29-21(15-8-4-2-5-9-15)22(31-24)16-10-6-3-7-11-16/h2-14H,1H3,(H,28,30)/t14-/m1/s1
InChIKeyXZRHSCHHNJTQRM-CQSZACIVSA-N
XLogP8.09
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.84
LogP ≤ 58.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(2,4,5-trichlorophenyl)propanamide
CID 2378053
(2R)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]propanamide
CID 7266243
(2R)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide
CID 40812838
(2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]propanamide
CID 7266259
2-[[5-(2-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]sulfanyl]propanoic acid
CID 54479125
(2S)-2-(4-methylquinolin-2-yl)sulfanyl-N-(2,4,5-trichlorophenyl)propanamide
CID 2420043
2-[[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]sulfanyl]propanoic acid
CID 54419218
(2S)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-1-piperidin-1-ylpropan-1-one
CID 7266233
2-[[4-(4-chlorophenyl)-5-(4-hydroxyphenyl)-1,3-oxazol-2-yl]sulfanyl]propanoic acid
CID 11474322
2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,5-trichlorophenyl)propanamide
CID 16529694
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-phenylphenyl)propanamide
CID 18075869
(2S)-N-(2-chlorophenyl)-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 9308008

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(2,4,5-trichlorophenyl)propanamide?
The IUPAC name of (2R)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(2,4,5-trichlorophenyl)propanamide (CID 2378056) is (2R)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(2,4,5-trichlorophenyl)propanamide.
What is the SMILES notation for (2R)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(2,4,5-trichlorophenyl)propanamide?
The canonical SMILES for (2R)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(2,4,5-trichlorophenyl)propanamide is C[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of (2R)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(2,4,5-trichlorophenyl)propanamide?
The InChIKey is XZRHSCHHNJTQRM-CQSZACIVSA-N. The full InChI is InChI=1S/C24H17Cl3N2O2S/c1-14(23(30)28-20-13-18(26)17(25)12-19(20)27)32-24-29-21(15-8-4-2-5-9-15)22(31-24)16-10-6-3-7-11-16/h2-14H,1H3,(H,28,30)/t14-/m1/s1.
What are the key properties of (2R)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(2,4,5-trichlorophenyl)propanamide?
(2R)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(2,4,5-trichlorophenyl)propanamide has a molecular weight of 503.84 g/mol, XLogP of 8.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(2,4,5-trichlorophenyl)propanamide is sourced from PubChem (CID 2378056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).