N-(2,5-difluorophenyl)-2-[[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide

C19H16F2N2O2S — CID 27510328

IUPACN-(2,5-difluorophenyl)-2-[[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
SMILESCc1ccc(-c2cnc(SCC(=O)Nc3cc(F)ccc3F)o2)cc1C
InChIInChI=1S/C19H16F2N2O2S/c1-11-3-4-13(7-12(11)2)17-9-22-19(25-17)26-10-18(24)23-16-8-14(20)5-6-15(16)21/h3-9H,10H2,1-2H3,(H,23,24)
InChIKeyYVZDZTKUGCGYCR-UHFFFAOYSA-N
MW374.41 g/mol
LogP4.97
Rot. Bonds5

About N-(2,5-difluorophenyl)-2-[[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide

N-(2,5-difluorophenyl)-2-[[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide (PubChem CID 27510328) has the molecular formula C19H16F2N2O2S and a molecular weight of 374.41 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-[[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-[[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
PubChem CID27510328
Molecular FormulaC19H16F2N2O2S
Molecular Weight374.41 g/mol
Exact Mass374.09
IUPAC NameN-(2,5-difluorophenyl)-2-[[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
SMILESCc1ccc(-c2cnc(SCC(=O)Nc3cc(F)ccc3F)o2)cc1C
InChIInChI=1S/C19H16F2N2O2S/c1-11-3-4-13(7-12(11)2)17-9-22-19(25-17)26-10-18(24)23-16-8-14(20)5-6-15(16)21/h3-9H,10H2,1-2H3,(H,23,24)
InChIKeyYVZDZTKUGCGYCR-UHFFFAOYSA-N
XLogP4.97
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-[[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-[[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide (CID 27510328) is N-(2,5-difluorophenyl)-2-[[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-[[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-[[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide is Cc1ccc(-c2cnc(SCC(=O)Nc3cc(F)ccc3F)o2)cc1C.
What is the InChIKey of N-(2,5-difluorophenyl)-2-[[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide?
The InChIKey is YVZDZTKUGCGYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O2S/c1-11-3-4-13(7-12(11)2)17-9-22-19(25-17)26-10-18(24)23-16-8-14(20)5-6-15(16)21/h3-9H,10H2,1-2H3,(H,23,24).
What are the key properties of N-(2,5-difluorophenyl)-2-[[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide?
N-(2,5-difluorophenyl)-2-[[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide has a molecular weight of 374.41 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-[[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 27510328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).