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

C18H16N2O2S — CID 7266243

IUPAC(2R)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]propanamide
SMILESC[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(N)=O
InChIInChI=1S/C18H16N2O2S/c1-12(17(19)21)23-18-20-15(13-8-4-2-5-9-13)16(22-18)14-10-6-3-7-11-14/h2-12H,1H3,(H2,19,21)/t12-/m1/s1
InChIKeyQRTAMDJXMRCVRZ-GFCCVEGCSA-N
MW324.41 g/mol
LogP3.97
Rot. Bonds5

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

(2R)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]propanamide (PubChem CID 7266243) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is (2R)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]propanamide
PubChem CID7266243
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name(2R)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]propanamide
SMILESC[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(N)=O
InChIInChI=1S/C18H16N2O2S/c1-12(17(19)21)23-18-20-15(13-8-4-2-5-9-13)16(22-18)14-10-6-3-7-11-14/h2-12H,1H3,(H2,19,21)/t12-/m1/s1
InChIKeyQRTAMDJXMRCVRZ-GFCCVEGCSA-N
XLogP3.97
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-cyclohexa-1,3-dien-1-yl-4-phenyl-1,3-oxazol-2-yl)sulfanyl]propanamide
CID 169103862
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-[[5-(2-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]sulfanyl]propanoic acid
CID 54479125
(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]-N-(2,4,5-trichlorophenyl)propanamide
CID 2378056
(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-[[4-(4-chlorophenyl)-5-(4-hydroxyphenyl)-1,3-oxazol-2-yl]sulfanyl]propanoic acid
CID 11474322
2-[[4,5-bis(4-nitrophenyl)-1,3-oxazol-2-yl]sulfanyl]propanoic acid
CID 21408803
2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-2-methylpropanoic acid
CID 54003454
2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetyl chloride
CID 54148093

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]propanamide?
The IUPAC name of (2R)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]propanamide (CID 7266243) is (2R)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for (2R)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for (2R)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]propanamide is C[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(N)=O.
What is the InChIKey of (2R)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]propanamide?
The InChIKey is QRTAMDJXMRCVRZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-12(17(19)21)23-18-20-15(13-8-4-2-5-9-13)16(22-18)14-10-6-3-7-11-14/h2-12H,1H3,(H2,19,21)/t12-/m1/s1.
What are the key properties of (2R)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]propanamide?
(2R)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]propanamide has a molecular weight of 324.41 g/mol, XLogP of 3.97, 5 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]propanamide is sourced from PubChem (CID 7266243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).