N-(1,1-dioxothiolan-3-yl)-5-(3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxamide

C15H15FN2O4S — CID 17011033

IUPACN-(1,1-dioxothiolan-3-yl)-5-(3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NC3CCS(=O)(=O)C3)no2)cc1F
InChIInChI=1S/C15H15FN2O4S/c1-9-2-3-10(6-12(9)16)14-7-13(18-22-14)15(19)17-11-4-5-23(20,21)8-11/h2-3,6-7,11H,4-5,8H2,1H3,(H,17,19)
InChIKeyOUXVAYQPBYABCA-UHFFFAOYSA-N
MW338.36 g/mol
LogP1.71
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)-5-(3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxamide

N-(1,1-dioxothiolan-3-yl)-5-(3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 17011033) has the molecular formula C15H15FN2O4S and a molecular weight of 338.36 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-5-(3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-5-(3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxamide
PubChem CID17011033
Molecular FormulaC15H15FN2O4S
Molecular Weight338.36 g/mol
Exact Mass338.07
IUPAC NameN-(1,1-dioxothiolan-3-yl)-5-(3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NC3CCS(=O)(=O)C3)no2)cc1F
InChIInChI=1S/C15H15FN2O4S/c1-9-2-3-10(6-12(9)16)14-7-13(18-22-14)15(19)17-11-4-5-23(20,21)8-11/h2-3,6-7,11H,4-5,8H2,1H3,(H,17,19)
InChIKeyOUXVAYQPBYABCA-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-5-[4-(2-methylpropoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 171691984
N-cyclobutyl-5-(3-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 144981703
N-(1,1-dioxothiolan-3-yl)-5-fluoro-3-methylpyridine-2-carboxamide
CID 146074745
3-(2-chloro-6-fluorophenyl)-N-(1,1-dioxothiolan-3-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 3508122
N-(1,1-dioxothiolan-3-yl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110852773
N-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 17398664
1-(1,1-dioxothiolan-3-yl)-3-ethyl-2-[(3-fluoro-4-methylphenyl)methyl]guanidine;hydroiodide
CID 111142993
N-[(3S)-1,1-dioxothiolan-3-yl]-3-methylthiophene-2-carboxamide
CID 30789391
N-(1,1-dioxothiolan-3-yl)-3-hydroxy-4-methylbenzamide
CID 43176544
6-N-(1,1-dioxothiolan-3-yl)-2-N-(4-methylphenyl)pyridine-2,6-dicarboxamide
CID 109098728
N-[(3R)-1,1-dioxothiolan-3-yl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 96556888
N-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-5-phenylthiophene-2-carboxamide
CID 125418912

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-5-(3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-5-(3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxamide (CID 17011033) is N-(1,1-dioxothiolan-3-yl)-5-(3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-5-(3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-5-(3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)NC3CCS(=O)(=O)C3)no2)cc1F.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-5-(3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is OUXVAYQPBYABCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O4S/c1-9-2-3-10(6-12(9)16)14-7-13(18-22-14)15(19)17-11-4-5-23(20,21)8-11/h2-3,6-7,11H,4-5,8H2,1H3,(H,17,19).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-5-(3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxamide?
N-(1,1-dioxothiolan-3-yl)-5-(3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 338.36 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-5-(3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 17011033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).