2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-1-(5-methylthiophen-2-yl)ethanone

C16H12FNO2S2 — CID 18140210

IUPAC2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-1-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(C(=O)CSc2ncc(-c3ccc(F)cc3)o2)s1
InChIInChI=1S/C16H12FNO2S2/c1-10-2-7-15(22-10)13(19)9-21-16-18-8-14(20-16)11-3-5-12(17)6-4-11/h2-8H,9H2,1H3
InChIKeyCJQANLPAIDJKAJ-UHFFFAOYSA-N
MW333.41 g/mol
LogP4.83
Rot. Bonds5

About 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-1-(5-methylthiophen-2-yl)ethanone

2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-1-(5-methylthiophen-2-yl)ethanone (PubChem CID 18140210) has the molecular formula C16H12FNO2S2 and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-1-(5-methylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-1-(5-methylthiophen-2-yl)ethanone
PubChem CID18140210
Molecular FormulaC16H12FNO2S2
Molecular Weight333.41 g/mol
Exact Mass333.03
IUPAC Name2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-1-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(C(=O)CSc2ncc(-c3ccc(F)cc3)o2)s1
InChIInChI=1S/C16H12FNO2S2/c1-10-2-7-15(22-10)13(19)9-21-16-18-8-14(20-16)11-3-5-12(17)6-4-11/h2-8H,9H2,1H3
InChIKeyCJQANLPAIDJKAJ-UHFFFAOYSA-N
XLogP4.83
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
CID 50773798
N-(3,4-dimethylphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
CID 50773608
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-phenylacetamide
CID 50773647
N-[4-[2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetyl]-2-methylsulfanylphenyl]acetamide
CID 55770306
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone
CID 16581180
4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanylmethyl]benzamide
CID 51318385
N-(4-chlorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
CID 50773689
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-methyl-N-(1-phenylethyl)acetamide
CID 46692849
6-[2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetyl]-3,4-dihydro-1H-quinolin-2-one
CID 51318362
N-(2-chlorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
CID 55495881
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(5-fluoro-2-methylphenyl)acetamide
CID 50773577
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 46692840

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-1-(5-methylthiophen-2-yl)ethanone?
The IUPAC name of 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-1-(5-methylthiophen-2-yl)ethanone (CID 18140210) is 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-1-(5-methylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-1-(5-methylthiophen-2-yl)ethanone?
The canonical SMILES for 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-1-(5-methylthiophen-2-yl)ethanone is Cc1ccc(C(=O)CSc2ncc(-c3ccc(F)cc3)o2)s1.
What is the InChIKey of 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-1-(5-methylthiophen-2-yl)ethanone?
The InChIKey is CJQANLPAIDJKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO2S2/c1-10-2-7-15(22-10)13(19)9-21-16-18-8-14(20-16)11-3-5-12(17)6-4-11/h2-8H,9H2,1H3.
What are the key properties of 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-1-(5-methylthiophen-2-yl)ethanone?
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-1-(5-methylthiophen-2-yl)ethanone has a molecular weight of 333.41 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-1-(5-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 18140210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).