N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-(trifluoromethylsulfanyl)benzamide

C15H14F3N3O3S — CID 55607599

IUPACN-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-(trifluoromethylsulfanyl)benzamide
SMILESCc1cc(NC(=O)CN(C)C(=O)c2ccccc2SC(F)(F)F)no1
InChIInChI=1S/C15H14F3N3O3S/c1-9-7-12(20-24-9)19-13(22)8-21(2)14(23)10-5-3-4-6-11(10)25-15(16,17)18/h3-7H,8H2,1-2H3,(H,19,20,22)
InChIKeyQJPYEKGBSQKOGY-UHFFFAOYSA-N
MW373.36 g/mol
LogP3.31
Rot. Bonds5

About N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-(trifluoromethylsulfanyl)benzamide

N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-(trifluoromethylsulfanyl)benzamide (PubChem CID 55607599) has the molecular formula C15H14F3N3O3S and a molecular weight of 373.36 g/mol. Its IUPAC name is N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-(trifluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-(trifluoromethylsulfanyl)benzamide
PubChem CID55607599
Molecular FormulaC15H14F3N3O3S
Molecular Weight373.36 g/mol
Exact Mass373.07
IUPAC NameN-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-(trifluoromethylsulfanyl)benzamide
SMILESCc1cc(NC(=O)CN(C)C(=O)c2ccccc2SC(F)(F)F)no1
InChIInChI=1S/C15H14F3N3O3S/c1-9-7-12(20-24-9)19-13(22)8-21(2)14(23)10-5-3-4-6-11(10)25-15(16,17)18/h3-7H,8H2,1-2H3,(H,19,20,22)
InChIKeyQJPYEKGBSQKOGY-UHFFFAOYSA-N
XLogP3.31
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-phenylbenzamide
CID 51267288
2-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 42768895
N,1-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-oxoquinoline-4-carboxamide
CID 55759592
3-bromo-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyridine-2-carboxamide
CID 107518559
3-amino-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 60947012
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-propan-2-ylnaphthalene-1-carboxamide
CID 42768904
5-chloro-2-methoxy-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 51267404
2-bromo-N-butan-2-yl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 3648005
5-(ethylsulfamoyl)-N,2-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 46469817
N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]acetamide
CID 51282323
2-amino-N,2-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 61265039
(2R)-2-amino-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 54996242

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-(trifluoromethylsulfanyl)benzamide?
The IUPAC name of N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-(trifluoromethylsulfanyl)benzamide (CID 55607599) is N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-(trifluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-(trifluoromethylsulfanyl)benzamide?
The canonical SMILES for N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-(trifluoromethylsulfanyl)benzamide is Cc1cc(NC(=O)CN(C)C(=O)c2ccccc2SC(F)(F)F)no1.
What is the InChIKey of N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-(trifluoromethylsulfanyl)benzamide?
The InChIKey is QJPYEKGBSQKOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O3S/c1-9-7-12(20-24-9)19-13(22)8-21(2)14(23)10-5-3-4-6-11(10)25-15(16,17)18/h3-7H,8H2,1-2H3,(H,19,20,22).
What are the key properties of N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-(trifluoromethylsulfanyl)benzamide?
N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-(trifluoromethylsulfanyl)benzamide has a molecular weight of 373.36 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-(trifluoromethylsulfanyl)benzamide is sourced from PubChem (CID 55607599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).