(5-ethyl-1,2-oxazol-4-yl)-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]methanone

C14H12F3NO4S — CID 54561645

IUPAC(5-ethyl-1,2-oxazol-4-yl)-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]methanone
SMILESCCc1oncc1C(=O)c1ccc(S(C)(=O)=O)cc1C(F)(F)F
InChIInChI=1S/C14H12F3NO4S/c1-3-12-10(7-18-22-12)13(19)9-5-4-8(23(2,20)21)6-11(9)14(15,16)17/h4-7H,3H2,1-2H3
InChIKeyZQYQZQJWOOCMEM-UHFFFAOYSA-N
MW347.31 g/mol
LogP2.89
Rot. Bonds4

About (5-ethyl-1,2-oxazol-4-yl)-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]methanone

(5-ethyl-1,2-oxazol-4-yl)-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]methanone (PubChem CID 54561645) has the molecular formula C14H12F3NO4S and a molecular weight of 347.31 g/mol. Its IUPAC name is (5-ethyl-1,2-oxazol-4-yl)-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(5-ethyl-1,2-oxazol-4-yl)-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]methanone
PubChem CID54561645
Molecular FormulaC14H12F3NO4S
Molecular Weight347.31 g/mol
Exact Mass347.04
IUPAC Name(5-ethyl-1,2-oxazol-4-yl)-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]methanone
SMILESCCc1oncc1C(=O)c1ccc(S(C)(=O)=O)cc1C(F)(F)F
InChIInChI=1S/C14H12F3NO4S/c1-3-12-10(7-18-22-12)13(19)9-5-4-8(23(2,20)21)6-11(9)14(15,16)17/h4-7H,3H2,1-2H3
InChIKeyZQYQZQJWOOCMEM-UHFFFAOYSA-N
XLogP2.89
TPSA77.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.31
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-ethyl-1,2-oxazol-4-yl)-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (5-ethyl-1,2-oxazol-4-yl)-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]methanone (CID 54561645) is (5-ethyl-1,2-oxazol-4-yl)-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (5-ethyl-1,2-oxazol-4-yl)-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (5-ethyl-1,2-oxazol-4-yl)-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]methanone is CCc1oncc1C(=O)c1ccc(S(C)(=O)=O)cc1C(F)(F)F.
What is the InChIKey of (5-ethyl-1,2-oxazol-4-yl)-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]methanone?
The InChIKey is ZQYQZQJWOOCMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO4S/c1-3-12-10(7-18-22-12)13(19)9-5-4-8(23(2,20)21)6-11(9)14(15,16)17/h4-7H,3H2,1-2H3.
What are the key properties of (5-ethyl-1,2-oxazol-4-yl)-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]methanone?
(5-ethyl-1,2-oxazol-4-yl)-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]methanone has a molecular weight of 347.31 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 (5-ethyl-1,2-oxazol-4-yl)-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 54561645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).