3-(2-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,2-oxazole-5-carboxamide

C15H15FN2O4S — CID 46971408

IUPAC3-(2-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,2-oxazole-5-carboxamide
SMILESCC1(NC(=O)c2cc(-c3ccccc3F)no2)CCS(=O)(=O)C1
InChIInChI=1S/C15H15FN2O4S/c1-15(6-7-23(20,21)9-15)17-14(19)13-8-12(18-22-13)10-4-2-3-5-11(10)16/h2-5,8H,6-7,9H2,1H3,(H,17,19)
InChIKeyAUUMZAVPNDUPKT-UHFFFAOYSA-N
MW338.36 g/mol
LogP1.79
Rot. Bonds3

About 3-(2-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,2-oxazole-5-carboxamide

3-(2-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,2-oxazole-5-carboxamide (PubChem CID 46971408) has the molecular formula C15H15FN2O4S and a molecular weight of 338.36 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,2-oxazole-5-carboxamide
PubChem CID46971408
Molecular FormulaC15H15FN2O4S
Molecular Weight338.36 g/mol
Exact Mass338.07
IUPAC Name3-(2-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,2-oxazole-5-carboxamide
SMILESCC1(NC(=O)c2cc(-c3ccccc3F)no2)CCS(=O)(=O)C1
InChIInChI=1S/C15H15FN2O4S/c1-15(6-7-23(20,21)9-15)17-14(19)13-8-12(18-22-13)10-4-2-3-5-11(10)16/h2-5,8H,6-7,9H2,1H3,(H,17,19)
InChIKeyAUUMZAVPNDUPKT-UHFFFAOYSA-N
XLogP1.79
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,2-oxazole-5-carboxamide (CID 46971408) is 3-(2-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,2-oxazole-5-carboxamide is CC1(NC(=O)c2cc(-c3ccccc3F)no2)CCS(=O)(=O)C1.
What is the InChIKey of 3-(2-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,2-oxazole-5-carboxamide?
The InChIKey is AUUMZAVPNDUPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O4S/c1-15(6-7-23(20,21)9-15)17-14(19)13-8-12(18-22-13)10-4-2-3-5-11(10)16/h2-5,8H,6-7,9H2,1H3,(H,17,19).
What are the key properties of 3-(2-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,2-oxazole-5-carboxamide?
3-(2-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,2-oxazole-5-carboxamide has a molecular weight of 338.36 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 46971408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).