methyl 2-fluoro-4-(1,3-oxazol-2-ylsulfanylmethyl)benzoate

C12H10FNO3S — CID 106920762

IUPACmethyl 2-fluoro-4-(1,3-oxazol-2-ylsulfanylmethyl)benzoate
SMILESCOC(=O)c1ccc(CSc2ncco2)cc1F
InChIInChI=1S/C12H10FNO3S/c1-16-11(15)9-3-2-8(6-10(9)13)7-18-12-14-4-5-17-12/h2-6H,7H2,1H3
InChIKeyMGZFNEAZTXGOOQ-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.89
Rot. Bonds4

About methyl 2-fluoro-4-(1,3-oxazol-2-ylsulfanylmethyl)benzoate

methyl 2-fluoro-4-(1,3-oxazol-2-ylsulfanylmethyl)benzoate (PubChem CID 106920762) has the molecular formula C12H10FNO3S and a molecular weight of 267.28 g/mol. Its IUPAC name is methyl 2-fluoro-4-(1,3-oxazol-2-ylsulfanylmethyl)benzoate.

Molecular Properties

Compound Namemethyl 2-fluoro-4-(1,3-oxazol-2-ylsulfanylmethyl)benzoate
PubChem CID106920762
Molecular FormulaC12H10FNO3S
Molecular Weight267.28 g/mol
Exact Mass267.04
IUPAC Namemethyl 2-fluoro-4-(1,3-oxazol-2-ylsulfanylmethyl)benzoate
SMILESCOC(=O)c1ccc(CSc2ncco2)cc1F
InChIInChI=1S/C12H10FNO3S/c1-16-11(15)9-3-2-8(6-10(9)13)7-18-12-14-4-5-17-12/h2-6H,7H2,1H3
InChIKeyMGZFNEAZTXGOOQ-UHFFFAOYSA-N
XLogP2.89
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Benzoyloxyoxazole
CID 69851730
3-[[5-(4-Fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]oxolan-2-one
CID 42895645
(3R)-3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]oxolan-2-one
CID 41627048
(3S)-3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]oxolan-2-one
CID 41627049
Methyl 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetate
CID 45864414
Methyl 4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanylmethyl]benzoate
CID 47017775
Butyl 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetate
CID 52549589
Ethyl 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-2-phenylacetate
CID 55495833
Butyl 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]propanoate
CID 60344685
Propyl 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]propanoate
CID 60344724
Methyl 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]hexanoate
CID 60344725
5-[[5-(4-Fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]pentan-2-one
CID 60398119

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-4-(1,3-oxazol-2-ylsulfanylmethyl)benzoate?
The IUPAC name of methyl 2-fluoro-4-(1,3-oxazol-2-ylsulfanylmethyl)benzoate (CID 106920762) is methyl 2-fluoro-4-(1,3-oxazol-2-ylsulfanylmethyl)benzoate.
What is the SMILES notation for methyl 2-fluoro-4-(1,3-oxazol-2-ylsulfanylmethyl)benzoate?
The canonical SMILES for methyl 2-fluoro-4-(1,3-oxazol-2-ylsulfanylmethyl)benzoate is COC(=O)c1ccc(CSc2ncco2)cc1F.
What is the InChIKey of methyl 2-fluoro-4-(1,3-oxazol-2-ylsulfanylmethyl)benzoate?
The InChIKey is MGZFNEAZTXGOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO3S/c1-16-11(15)9-3-2-8(6-10(9)13)7-18-12-14-4-5-17-12/h2-6H,7H2,1H3.
What are the key properties of methyl 2-fluoro-4-(1,3-oxazol-2-ylsulfanylmethyl)benzoate?
methyl 2-fluoro-4-(1,3-oxazol-2-ylsulfanylmethyl)benzoate has a molecular weight of 267.28 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-4-(1,3-oxazol-2-ylsulfanylmethyl)benzoate is sourced from PubChem (CID 106920762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).