2-(4-fluorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C12H11FN2O2S — CID 2106167

IUPAC2-(4-fluorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSc2ccc(F)cc2)no1
InChIInChI=1S/C12H11FN2O2S/c1-8-6-11(15-17-8)14-12(16)7-18-10-4-2-9(13)3-5-10/h2-6H,7H2,1H3,(H,14,15,16)
InChIKeyAVWMBJAQWFMLTA-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.85
Rot. Bonds4

About 2-(4-fluorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-(4-fluorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 2106167) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID2106167
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSc2ccc(F)cc2)no1
InChIInChI=1S/C12H11FN2O2S/c1-8-6-11(15-17-8)14-12(16)7-18-10-4-2-9(13)3-5-10/h2-6H,7H2,1H3,(H,14,15,16)
InChIKeyAVWMBJAQWFMLTA-UHFFFAOYSA-N
XLogP2.85
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-Methyl-3-isoxazolyl)-2-thiophenecarboxamide
CID 670281
N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 2498562
N-(5-Methyl-isoxazol-3-yl)-2-(toluene-4-sulfonyl)-acetamide
CID 2969761
N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfanylpropanamide
CID 7254602
N-(5-methyl-3-isoxazolyl)-2-(2-thienyl)acetamide
CID 717599
2-[(4-chlorophenyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 676219
2-(ethylthio)-N-(5-methyl-3-isoxazolyl)benzamide
CID 970322
2-(4-acetamidophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2084474
2-((6-amino-1-(4-fluorophenyl)-4-oxo-1,4-dihydropyrimidin-2-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide
CID 7162142
N-(5-methyl-3-isoxazolyl)-2-[(4-nitrobenzyl)thio]acetamide
CID 2227372
2-((4-chlorophenyl)sulfonyl)-N-(5-methylisoxazol-3-yl)acetamide
CID 7254252
2-(4-chlorophenylsulfonyl)-2-methyl-N-(5-methylisoxazol-3-yl)propanamide
CID 44569589

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 2106167) is 2-(4-fluorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CSc2ccc(F)cc2)no1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is AVWMBJAQWFMLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c1-8-6-11(15-17-8)14-12(16)7-18-10-4-2-9(13)3-5-10/h2-6H,7H2,1H3,(H,14,15,16).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-(4-fluorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 266.30 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 2106167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).