methyl 5-(4-fluorophenyl)-2-methylsulfanyl-1,3-oxazole-4-carboxylate

C12H10FNO3S — CID 54070194

IUPACmethyl 5-(4-fluorophenyl)-2-methylsulfanyl-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1nc(SC)oc1-c1ccc(F)cc1
InChIInChI=1S/C12H10FNO3S/c1-16-11(15)9-10(17-12(14-9)18-2)7-3-5-8(13)6-4-7/h3-6H,1-2H3
InChIKeyMFXAFDBYDOHEKK-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.99
Rot. Bonds3

About methyl 5-(4-fluorophenyl)-2-methylsulfanyl-1,3-oxazole-4-carboxylate

methyl 5-(4-fluorophenyl)-2-methylsulfanyl-1,3-oxazole-4-carboxylate (PubChem CID 54070194) has the molecular formula C12H10FNO3S and a molecular weight of 267.28 g/mol. Its IUPAC name is methyl 5-(4-fluorophenyl)-2-methylsulfanyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-fluorophenyl)-2-methylsulfanyl-1,3-oxazole-4-carboxylate
PubChem CID54070194
Molecular FormulaC12H10FNO3S
Molecular Weight267.28 g/mol
Exact Mass267.04
IUPAC Namemethyl 5-(4-fluorophenyl)-2-methylsulfanyl-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1nc(SC)oc1-c1ccc(F)cc1
InChIInChI=1S/C12H10FNO3S/c1-16-11(15)9-10(17-12(14-9)18-2)7-3-5-8(13)6-4-7/h3-6H,1-2H3
InChIKeyMFXAFDBYDOHEKK-UHFFFAOYSA-N
XLogP2.99
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-fluorophenyl)-2-methylsulfanyl-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 5-(4-fluorophenyl)-2-methylsulfanyl-1,3-oxazole-4-carboxylate (CID 54070194) is methyl 5-(4-fluorophenyl)-2-methylsulfanyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 5-(4-fluorophenyl)-2-methylsulfanyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 5-(4-fluorophenyl)-2-methylsulfanyl-1,3-oxazole-4-carboxylate is COC(=O)c1nc(SC)oc1-c1ccc(F)cc1.
What is the InChIKey of methyl 5-(4-fluorophenyl)-2-methylsulfanyl-1,3-oxazole-4-carboxylate?
The InChIKey is MFXAFDBYDOHEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO3S/c1-16-11(15)9-10(17-12(14-9)18-2)7-3-5-8(13)6-4-7/h3-6H,1-2H3.
What are the key properties of methyl 5-(4-fluorophenyl)-2-methylsulfanyl-1,3-oxazole-4-carboxylate?
methyl 5-(4-fluorophenyl)-2-methylsulfanyl-1,3-oxazole-4-carboxylate has a molecular weight of 267.28 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-fluorophenyl)-2-methylsulfanyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 54070194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).