5-ethyl-3-(3-fluoro-4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-1,2-oxazole

C19H18FNO4S — CID 19608681

IUPAC5-ethyl-3-(3-fluoro-4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-1,2-oxazole
SMILESCCc1onc(-c2ccc(OC)c(F)c2)c1-c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C19H18FNO4S/c1-4-16-18(12-5-8-14(9-6-12)26(3,22)23)19(21-25-16)13-7-10-17(24-2)15(20)11-13/h5-11H,4H2,1-3H3
InChIKeyMDLSFVBDDDVEBJ-UHFFFAOYSA-N
MW375.42 g/mol
LogP4.12
Rot. Bonds5

About 5-ethyl-3-(3-fluoro-4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-1,2-oxazole

5-ethyl-3-(3-fluoro-4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-1,2-oxazole (PubChem CID 19608681) has the molecular formula C19H18FNO4S and a molecular weight of 375.42 g/mol. Its IUPAC name is 5-ethyl-3-(3-fluoro-4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-ethyl-3-(3-fluoro-4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-1,2-oxazole
PubChem CID19608681
Molecular FormulaC19H18FNO4S
Molecular Weight375.42 g/mol
Exact Mass375.09
IUPAC Name5-ethyl-3-(3-fluoro-4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-1,2-oxazole
SMILESCCc1onc(-c2ccc(OC)c(F)c2)c1-c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C19H18FNO4S/c1-4-16-18(12-5-8-14(9-6-12)26(3,22)23)19(21-25-16)13-7-10-17(24-2)15(20)11-13/h5-11H,4H2,1-3H3
InChIKeyMDLSFVBDDDVEBJ-UHFFFAOYSA-N
XLogP4.12
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(3-fluoro-4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-1,2-oxazole?
The IUPAC name of 5-ethyl-3-(3-fluoro-4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-1,2-oxazole (CID 19608681) is 5-ethyl-3-(3-fluoro-4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-1,2-oxazole.
What is the SMILES notation for 5-ethyl-3-(3-fluoro-4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-1,2-oxazole?
The canonical SMILES for 5-ethyl-3-(3-fluoro-4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-1,2-oxazole is CCc1onc(-c2ccc(OC)c(F)c2)c1-c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 5-ethyl-3-(3-fluoro-4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-1,2-oxazole?
The InChIKey is MDLSFVBDDDVEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO4S/c1-4-16-18(12-5-8-14(9-6-12)26(3,22)23)19(21-25-16)13-7-10-17(24-2)15(20)11-13/h5-11H,4H2,1-3H3.
What are the key properties of 5-ethyl-3-(3-fluoro-4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-1,2-oxazole?
5-ethyl-3-(3-fluoro-4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-1,2-oxazole has a molecular weight of 375.42 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(3-fluoro-4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-1,2-oxazole is sourced from PubChem (CID 19608681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).