2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide

C21H19N3O3S — CID 4814204

IUPAC2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C21H19N3O3S/c1-2-13-22-20(26)23-17(25)14-28-21-24-18(15-9-5-3-6-10-15)19(27-21)16-11-7-4-8-12-16/h2-12H,1,13-14H2,(H2,22,23,25,26)
InChIKeyABHPKNJFLHLWRU-UHFFFAOYSA-N
MW393.47 g/mol
LogP4.11
Rot. Bonds7

About 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide

2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide (PubChem CID 4814204) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide
PubChem CID4814204
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC Name2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C21H19N3O3S/c1-2-13-22-20(26)23-17(25)14-28-21-24-18(15-9-5-3-6-10-15)19(27-21)16-11-7-4-8-12-16/h2-12H,1,13-14H2,(H2,22,23,25,26)
InChIKeyABHPKNJFLHLWRU-UHFFFAOYSA-N
XLogP4.11
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(benzylcarbamoyl)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 2453469
2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetyl chloride
CID 54148093
N-cyclopentyl-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 3964090
5-[[2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylic acid
CID 45468337
2-naphthalen-2-ylsulfanyl-N-(prop-2-enylcarbamoyl)acetamide
CID 8006187
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide
CID 4814099
N-(2,3-dimethylphenyl)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 2268105
2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide
CID 4044762
2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide
CID 112775024
N-(3-chlorophenyl)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 4240103
N-(2-adamantyl)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 5219543
N-(3-chloro-2-methylphenyl)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 5024827

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide?
The IUPAC name of 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide (CID 4814204) is 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide?
The canonical SMILES for 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide is C=CCNC(=O)NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1.
What is the InChIKey of 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide?
The InChIKey is ABHPKNJFLHLWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c1-2-13-22-20(26)23-17(25)14-28-21-24-18(15-9-5-3-6-10-15)19(27-21)16-11-7-4-8-12-16/h2-12H,1,13-14H2,(H2,22,23,25,26).
What are the key properties of 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide?
2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide has a molecular weight of 393.47 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide is sourced from PubChem (CID 4814204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).