N-[2-(difluoromethylsulfanyl)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C18H14F2N2O2S — CID 26180883

IUPACN-[2-(difluoromethylsulfanyl)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1ccccc1SC(F)F
InChIInChI=1S/C18H14F2N2O2S/c1-11-15(16(22-24-11)12-7-3-2-4-8-12)17(23)21-13-9-5-6-10-14(13)25-18(19)20/h2-10,18H,1H3,(H,21,23)
InChIKeyBJAMILSDMLKJRB-UHFFFAOYSA-N
MW360.38 g/mol
LogP5.22
Rot. Bonds5

About N-[2-(difluoromethylsulfanyl)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-[2-(difluoromethylsulfanyl)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 26180883) has the molecular formula C18H14F2N2O2S and a molecular weight of 360.38 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfanyl)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfanyl)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID26180883
Molecular FormulaC18H14F2N2O2S
Molecular Weight360.38 g/mol
Exact Mass360.07
IUPAC NameN-[2-(difluoromethylsulfanyl)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1ccccc1SC(F)F
InChIInChI=1S/C18H14F2N2O2S/c1-11-15(16(22-24-11)12-7-3-2-4-8-12)17(23)21-13-9-5-6-10-14(13)25-18(19)20/h2-10,18H,1H3,(H,21,23)
InChIKeyBJAMILSDMLKJRB-UHFFFAOYSA-N
XLogP5.22
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.38
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 26180883) is N-[2-(difluoromethylsulfanyl)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(difluoromethylsulfanyl)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(difluoromethylsulfanyl)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)Nc1ccccc1SC(F)F.
What is the InChIKey of N-[2-(difluoromethylsulfanyl)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is BJAMILSDMLKJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O2S/c1-11-15(16(22-24-11)12-7-3-2-4-8-12)17(23)21-13-9-5-6-10-14(13)25-18(19)20/h2-10,18H,1H3,(H,21,23).
What are the key properties of N-[2-(difluoromethylsulfanyl)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-[2-(difluoromethylsulfanyl)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 360.38 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethylsulfanyl)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 26180883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).