3-[(4-fluorophenyl)sulfinylmethyl]-5-(methoxymethyl)-1,2-oxazole

C12H12FNO3S — CID 66190961

IUPAC3-[(4-fluorophenyl)sulfinylmethyl]-5-(methoxymethyl)-1,2-oxazole
SMILESCOCc1cc(CS(=O)c2ccc(F)cc2)no1
InChIInChI=1S/C12H12FNO3S/c1-16-7-11-6-10(14-17-11)8-18(15)12-4-2-9(13)3-5-12/h2-6H,7-8H2,1H3
InChIKeyUPRLYIPRJDKNOZ-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.27
Rot. Bonds5

About 3-[(4-fluorophenyl)sulfinylmethyl]-5-(methoxymethyl)-1,2-oxazole

3-[(4-fluorophenyl)sulfinylmethyl]-5-(methoxymethyl)-1,2-oxazole (PubChem CID 66190961) has the molecular formula C12H12FNO3S and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)sulfinylmethyl]-5-(methoxymethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-[(4-fluorophenyl)sulfinylmethyl]-5-(methoxymethyl)-1,2-oxazole
PubChem CID66190961
Molecular FormulaC12H12FNO3S
Molecular Weight269.30 g/mol
Exact Mass269.05
IUPAC Name3-[(4-fluorophenyl)sulfinylmethyl]-5-(methoxymethyl)-1,2-oxazole
SMILESCOCc1cc(CS(=O)c2ccc(F)cc2)no1
InChIInChI=1S/C12H12FNO3S/c1-16-7-11-6-10(14-17-11)8-18(15)12-4-2-9(13)3-5-12/h2-6H,7-8H2,1H3
InChIKeyUPRLYIPRJDKNOZ-UHFFFAOYSA-N
XLogP2.27
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)sulfinylmethyl]-5-(methoxymethyl)-1,2-oxazole?
The IUPAC name of 3-[(4-fluorophenyl)sulfinylmethyl]-5-(methoxymethyl)-1,2-oxazole (CID 66190961) is 3-[(4-fluorophenyl)sulfinylmethyl]-5-(methoxymethyl)-1,2-oxazole.
What is the SMILES notation for 3-[(4-fluorophenyl)sulfinylmethyl]-5-(methoxymethyl)-1,2-oxazole?
The canonical SMILES for 3-[(4-fluorophenyl)sulfinylmethyl]-5-(methoxymethyl)-1,2-oxazole is COCc1cc(CS(=O)c2ccc(F)cc2)no1.
What is the InChIKey of 3-[(4-fluorophenyl)sulfinylmethyl]-5-(methoxymethyl)-1,2-oxazole?
The InChIKey is UPRLYIPRJDKNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO3S/c1-16-7-11-6-10(14-17-11)8-18(15)12-4-2-9(13)3-5-12/h2-6H,7-8H2,1H3.
What are the key properties of 3-[(4-fluorophenyl)sulfinylmethyl]-5-(methoxymethyl)-1,2-oxazole?
3-[(4-fluorophenyl)sulfinylmethyl]-5-(methoxymethyl)-1,2-oxazole has a molecular weight of 269.30 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)sulfinylmethyl]-5-(methoxymethyl)-1,2-oxazole is sourced from PubChem (CID 66190961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).