2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methylsulfanyl]acetic acid

C12H10FNO3S — CID 82160119

IUPAC2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methylsulfanyl]acetic acid
SMILESO=C(O)CSCc1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C12H10FNO3S/c13-9-3-1-8(2-4-9)11-5-10(14-17-11)6-18-7-12(15)16/h1-5H,6-7H2,(H,15,16)
InChIKeyIACHNPACJBFLSV-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.80
Rot. Bonds5

About 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methylsulfanyl]acetic acid

2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methylsulfanyl]acetic acid (PubChem CID 82160119) has the molecular formula C12H10FNO3S and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methylsulfanyl]acetic acid.

Molecular Properties

Compound Name2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methylsulfanyl]acetic acid
PubChem CID82160119
Molecular FormulaC12H10FNO3S
Molecular Weight267.28 g/mol
Exact Mass267.04
IUPAC Name2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methylsulfanyl]acetic acid
SMILESO=C(O)CSCc1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C12H10FNO3S/c13-9-3-1-8(2-4-9)11-5-10(14-17-11)6-18-7-12(15)16/h1-5H,6-7H2,(H,15,16)
InChIKeyIACHNPACJBFLSV-UHFFFAOYSA-N
XLogP2.80
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-fluorophenyl)-3-(pyridin-4-ylsulfanylmethyl)-1,2-oxazole
CID 166360069
2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-methyl-N-phenylacetamide
CID 16878802
1-(2,6-dimethylmorpholin-4-yl)-2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]ethanone
CID 16878754
N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-4-methylbenzamide
CID 16866853
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 2-(4-fluorophenyl)acetate
CID 16869611
2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-methylacetamide
CID 20906254
4-bromo-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866880
N-(4-acetamidophenyl)-2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]acetamide
CID 16878906
1-(4-fluorophenyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea
CID 47093359
N-(4-fluorophenyl)-2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetamide
CID 16878475
2-cyclopentyl-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 16866847
[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 4-chlorobenzoate
CID 16869687

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methylsulfanyl]acetic acid?
The IUPAC name of 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methylsulfanyl]acetic acid (CID 82160119) is 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methylsulfanyl]acetic acid.
What is the SMILES notation for 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methylsulfanyl]acetic acid?
The canonical SMILES for 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methylsulfanyl]acetic acid is O=C(O)CSCc1cc(-c2ccc(F)cc2)on1.
What is the InChIKey of 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methylsulfanyl]acetic acid?
The InChIKey is IACHNPACJBFLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO3S/c13-9-3-1-8(2-4-9)11-5-10(14-17-11)6-18-7-12(15)16/h1-5H,6-7H2,(H,15,16).
What are the key properties of 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methylsulfanyl]acetic acid?
2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methylsulfanyl]acetic acid has a molecular weight of 267.28 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methylsulfanyl]acetic acid is sourced from PubChem (CID 82160119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).