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

C20H20N2O2S — CID 3976740

IUPAC3-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCSc1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C20H20N2O2S/c1-22(2)17(23)13-14-25-20-21-18(15-9-5-3-6-10-15)19(24-20)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3
InChIKeyOJYODHPZCGOYGF-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.58
Rot. Bonds6

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

3-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N,N-dimethylpropanamide (PubChem CID 3976740) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is 3-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N,N-dimethylpropanamide
PubChem CID3976740
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC Name3-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCSc1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C20H20N2O2S/c1-22(2)17(23)13-14-25-20-21-18(15-9-5-3-6-10-15)19(24-20)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3
InChIKeyOJYODHPZCGOYGF-UHFFFAOYSA-N
XLogP4.58
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N,N-dimethylpropanamide (CID 3976740) is 3-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N,N-dimethylpropanamide is CN(C)C(=O)CCSc1nc(-c2ccccc2)c(-c2ccccc2)o1.
What is the InChIKey of 3-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N,N-dimethylpropanamide?
The InChIKey is OJYODHPZCGOYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-22(2)17(23)13-14-25-20-21-18(15-9-5-3-6-10-15)19(24-20)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3.
What are the key properties of 3-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N,N-dimethylpropanamide?
3-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N,N-dimethylpropanamide has a molecular weight of 352.46 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N,N-dimethylpropanamide is sourced from PubChem (CID 3976740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).