5-(4-methylsulfinylanilino)-2-(2,4,6-trifluorophenyl)-1,3-oxazole-4-carboxamide

C17H12F3N3O3S — CID 146529958

IUPAC5-(4-methylsulfinylanilino)-2-(2,4,6-trifluorophenyl)-1,3-oxazole-4-carboxamide
SMILESCS(=O)c1ccc(Nc2oc(-c3c(F)cc(F)cc3F)nc2C(N)=O)cc1
InChIInChI=1S/C17H12F3N3O3S/c1-27(25)10-4-2-9(3-5-10)22-17-14(15(21)24)23-16(26-17)13-11(19)6-8(18)7-12(13)20/h2-7,22H,1H3,(H2,21,24)
InChIKeyFLAXANCZNFSMQS-UHFFFAOYSA-N
MW395.36 g/mol
LogP3.34
Rot. Bonds5

About 5-(4-methylsulfinylanilino)-2-(2,4,6-trifluorophenyl)-1,3-oxazole-4-carboxamide

5-(4-methylsulfinylanilino)-2-(2,4,6-trifluorophenyl)-1,3-oxazole-4-carboxamide (PubChem CID 146529958) has the molecular formula C17H12F3N3O3S and a molecular weight of 395.36 g/mol. Its IUPAC name is 5-(4-methylsulfinylanilino)-2-(2,4,6-trifluorophenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-methylsulfinylanilino)-2-(2,4,6-trifluorophenyl)-1,3-oxazole-4-carboxamide
PubChem CID146529958
Molecular FormulaC17H12F3N3O3S
Molecular Weight395.36 g/mol
Exact Mass395.06
IUPAC Name5-(4-methylsulfinylanilino)-2-(2,4,6-trifluorophenyl)-1,3-oxazole-4-carboxamide
SMILESCS(=O)c1ccc(Nc2oc(-c3c(F)cc(F)cc3F)nc2C(N)=O)cc1
InChIInChI=1S/C17H12F3N3O3S/c1-27(25)10-4-2-9(3-5-10)22-17-14(15(21)24)23-16(26-17)13-11(19)6-8(18)7-12(13)20/h2-7,22H,1H3,(H2,21,24)
InChIKeyFLAXANCZNFSMQS-UHFFFAOYSA-N
XLogP3.34
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.36
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfinylanilino)-2-(2,4,6-trifluorophenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(4-methylsulfinylanilino)-2-(2,4,6-trifluorophenyl)-1,3-oxazole-4-carboxamide (CID 146529958) is 5-(4-methylsulfinylanilino)-2-(2,4,6-trifluorophenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(4-methylsulfinylanilino)-2-(2,4,6-trifluorophenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(4-methylsulfinylanilino)-2-(2,4,6-trifluorophenyl)-1,3-oxazole-4-carboxamide is CS(=O)c1ccc(Nc2oc(-c3c(F)cc(F)cc3F)nc2C(N)=O)cc1.
What is the InChIKey of 5-(4-methylsulfinylanilino)-2-(2,4,6-trifluorophenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is FLAXANCZNFSMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O3S/c1-27(25)10-4-2-9(3-5-10)22-17-14(15(21)24)23-16(26-17)13-11(19)6-8(18)7-12(13)20/h2-7,22H,1H3,(H2,21,24).
What are the key properties of 5-(4-methylsulfinylanilino)-2-(2,4,6-trifluorophenyl)-1,3-oxazole-4-carboxamide?
5-(4-methylsulfinylanilino)-2-(2,4,6-trifluorophenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 395.36 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfinylanilino)-2-(2,4,6-trifluorophenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 146529958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).