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

C20H19FN2O2S — CID 27510330

IUPAC2-[[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(4-fluoro-3-methylphenyl)acetamide
SMILESCc1ccc(-c2cnc(SCC(=O)Nc3ccc(F)c(C)c3)o2)cc1C
InChIInChI=1S/C20H19FN2O2S/c1-12-4-5-15(8-13(12)2)18-10-22-20(25-18)26-11-19(24)23-16-6-7-17(21)14(3)9-16/h4-10H,11H2,1-3H3,(H,23,24)
InChIKeySRZCCOTZXYGGQR-UHFFFAOYSA-N
MW370.45 g/mol
LogP5.14
Rot. Bonds5

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

2-[[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(4-fluoro-3-methylphenyl)acetamide (PubChem CID 27510330) has the molecular formula C20H19FN2O2S and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-[[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(4-fluoro-3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(4-fluoro-3-methylphenyl)acetamide
PubChem CID27510330
Molecular FormulaC20H19FN2O2S
Molecular Weight370.45 g/mol
Exact Mass370.12
IUPAC Name2-[[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(4-fluoro-3-methylphenyl)acetamide
SMILESCc1ccc(-c2cnc(SCC(=O)Nc3ccc(F)c(C)c3)o2)cc1C
InChIInChI=1S/C20H19FN2O2S/c1-12-4-5-15(8-13(12)2)18-10-22-20(25-18)26-11-19(24)23-16-6-7-17(21)14(3)9-16/h4-10H,11H2,1-3H3,(H,23,24)
InChIKeySRZCCOTZXYGGQR-UHFFFAOYSA-N
XLogP5.14
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(4-fluoro-3-methylphenyl)acetamide?
The IUPAC name of 2-[[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(4-fluoro-3-methylphenyl)acetamide (CID 27510330) is 2-[[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(4-fluoro-3-methylphenyl)acetamide.
What is the SMILES notation for 2-[[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(4-fluoro-3-methylphenyl)acetamide?
The canonical SMILES for 2-[[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(4-fluoro-3-methylphenyl)acetamide is Cc1ccc(-c2cnc(SCC(=O)Nc3ccc(F)c(C)c3)o2)cc1C.
What is the InChIKey of 2-[[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(4-fluoro-3-methylphenyl)acetamide?
The InChIKey is SRZCCOTZXYGGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2S/c1-12-4-5-15(8-13(12)2)18-10-22-20(25-18)26-11-19(24)23-16-6-7-17(21)14(3)9-16/h4-10H,11H2,1-3H3,(H,23,24).
What are the key properties of 2-[[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(4-fluoro-3-methylphenyl)acetamide?
2-[[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(4-fluoro-3-methylphenyl)acetamide has a molecular weight of 370.45 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(4-fluoro-3-methylphenyl)acetamide is sourced from PubChem (CID 27510330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).