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

C15H17FN2O2S — CID 4795218

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-fluoro-2-methylphenyl)acetamide
SMILESCc1ccc(F)cc1NC(=O)CSCc1c(C)noc1C
InChIInChI=1S/C15H17FN2O2S/c1-9-4-5-12(16)6-14(9)17-15(19)8-21-7-13-10(2)18-20-11(13)3/h4-6H,7-8H2,1-3H3,(H,17,19)
InChIKeyNBRMTDHKRAAHGJ-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.61
Rot. Bonds5

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

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-fluoro-2-methylphenyl)acetamide (PubChem CID 4795218) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-fluoro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-fluoro-2-methylphenyl)acetamide
PubChem CID4795218
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-fluoro-2-methylphenyl)acetamide
SMILESCc1ccc(F)cc1NC(=O)CSCc1c(C)noc1C
InChIInChI=1S/C15H17FN2O2S/c1-9-4-5-12(16)6-14(9)17-15(19)8-21-7-13-10(2)18-20-11(13)3/h4-6H,7-8H2,1-3H3,(H,17,19)
InChIKeyNBRMTDHKRAAHGJ-UHFFFAOYSA-N
XLogP3.61
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-fluoro-2-methylphenyl)acetamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-fluoro-2-methylphenyl)acetamide (CID 4795218) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-fluoro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-fluoro-2-methylphenyl)acetamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-fluoro-2-methylphenyl)acetamide is Cc1ccc(F)cc1NC(=O)CSCc1c(C)noc1C.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-fluoro-2-methylphenyl)acetamide?
The InChIKey is NBRMTDHKRAAHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-9-4-5-12(16)6-14(9)17-15(19)8-21-7-13-10(2)18-20-11(13)3/h4-6H,7-8H2,1-3H3,(H,17,19).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-fluoro-2-methylphenyl)acetamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-fluoro-2-methylphenyl)acetamide has a molecular weight of 308.38 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-fluoro-2-methylphenyl)acetamide is sourced from PubChem (CID 4795218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).