1,1,1-trifluoro-N-[4-[(3-methyl-7-oxo-4,5-dihydro-[1,2]oxazolo[5,4-c]pyridin-6-yl)methyl]phenyl]methanesulfonamide

C15H14F3N3O4S — CID 169261205

IUPAC1,1,1-trifluoro-N-[4-[(3-methyl-7-oxo-4,5-dihydro-[1,2]oxazolo[5,4-c]pyridin-6-yl)methyl]phenyl]methanesulfonamide
SMILESCc1noc2c1CCN(Cc1ccc(NS(=O)(=O)C(F)(F)F)cc1)C2=O
InChIInChI=1S/C15H14F3N3O4S/c1-9-12-6-7-21(14(22)13(12)25-19-9)8-10-2-4-11(5-3-10)20-26(23,24)15(16,17)18/h2-5,20H,6-8H2,1H3
InChIKeyFSCDIBFVPNYRNQ-UHFFFAOYSA-N
MW389.36 g/mol
LogP2.44
Rot. Bonds4

About 1,1,1-trifluoro-N-[4-[(3-methyl-7-oxo-4,5-dihydro-[1,2]oxazolo[5,4-c]pyridin-6-yl)methyl]phenyl]methanesulfonamide

1,1,1-trifluoro-N-[4-[(3-methyl-7-oxo-4,5-dihydro-[1,2]oxazolo[5,4-c]pyridin-6-yl)methyl]phenyl]methanesulfonamide (PubChem CID 169261205) has the molecular formula C15H14F3N3O4S and a molecular weight of 389.36 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[4-[(3-methyl-7-oxo-4,5-dihydro-[1,2]oxazolo[5,4-c]pyridin-6-yl)methyl]phenyl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[4-[(3-methyl-7-oxo-4,5-dihydro-[1,2]oxazolo[5,4-c]pyridin-6-yl)methyl]phenyl]methanesulfonamide
PubChem CID169261205
Molecular FormulaC15H14F3N3O4S
Molecular Weight389.36 g/mol
Exact Mass389.07
IUPAC Name1,1,1-trifluoro-N-[4-[(3-methyl-7-oxo-4,5-dihydro-[1,2]oxazolo[5,4-c]pyridin-6-yl)methyl]phenyl]methanesulfonamide
SMILESCc1noc2c1CCN(Cc1ccc(NS(=O)(=O)C(F)(F)F)cc1)C2=O
InChIInChI=1S/C15H14F3N3O4S/c1-9-12-6-7-21(14(22)13(12)25-19-9)8-10-2-4-11(5-3-10)20-26(23,24)15(16,17)18/h2-5,20H,6-8H2,1H3
InChIKeyFSCDIBFVPNYRNQ-UHFFFAOYSA-N
XLogP2.44
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,1,1-trifluoro-N-[4-[(5-fluoro-8-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)methyl]phenyl]methanesulfonamide
CID 169261051
1,1,1-trifluoro-N-[4-[(4-fluoro-3-oxo-1H-isoindol-2-yl)methyl]phenyl]methanesulfonamide
CID 169261201
N-[4-[(5,6-dibromo-7-methoxy-3-oxo-1H-isoindol-2-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide
CID 169261095
1,1,1-trifluoro-N-[4-[(8-oxo-7-azabicyclo[4.2.0]octa-1,3,5-trien-7-yl)methyl]phenyl]methanesulfonamide
CID 169261007
1,1,1-trifluoro-N-[4-[[8-oxo-2-(trifluoromethyl)-7-azabicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl]phenyl]methanesulfonamide
CID 169261170
1,1,1-trifluoro-N-[4-[(3-fluoro-8-oxo-7-azabicyclo[4.2.0]octa-1(6),2,4-trien-7-yl)methyl]phenyl]methanesulfonamide
CID 169261194
N-[4-[[3-[(4-tert-butylphenyl)methyl]-2-oxoimidazolidin-1-yl]methyl]phenyl]methanesulfonamide
CID 11949830
N-methylsulfonyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 47232606
N-(4-aminophenyl)-1,1,1-trifluoromethanesulfonamide
CID 43602626
(3Z)-3-(1-hydroxyethylidene)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one
CID 143188086
1,1,1-trifluoro-N-[2-[(3-methylidene-2-oxopiperidin-1-yl)methyl]phenyl]methanesulfonamide
CID 145215692
7-chloro-2-[(4-chlorophenyl)methyl]-5-methyl-1-oxo-3,4-dihydroisoquinoline-6-carboxylic acid
CID 143047326

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[4-[(3-methyl-7-oxo-4,5-dihydro-[1,2]oxazolo[5,4-c]pyridin-6-yl)methyl]phenyl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[4-[(3-methyl-7-oxo-4,5-dihydro-[1,2]oxazolo[5,4-c]pyridin-6-yl)methyl]phenyl]methanesulfonamide (CID 169261205) is 1,1,1-trifluoro-N-[4-[(3-methyl-7-oxo-4,5-dihydro-[1,2]oxazolo[5,4-c]pyridin-6-yl)methyl]phenyl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[4-[(3-methyl-7-oxo-4,5-dihydro-[1,2]oxazolo[5,4-c]pyridin-6-yl)methyl]phenyl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[4-[(3-methyl-7-oxo-4,5-dihydro-[1,2]oxazolo[5,4-c]pyridin-6-yl)methyl]phenyl]methanesulfonamide is Cc1noc2c1CCN(Cc1ccc(NS(=O)(=O)C(F)(F)F)cc1)C2=O.
What is the InChIKey of 1,1,1-trifluoro-N-[4-[(3-methyl-7-oxo-4,5-dihydro-[1,2]oxazolo[5,4-c]pyridin-6-yl)methyl]phenyl]methanesulfonamide?
The InChIKey is FSCDIBFVPNYRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O4S/c1-9-12-6-7-21(14(22)13(12)25-19-9)8-10-2-4-11(5-3-10)20-26(23,24)15(16,17)18/h2-5,20H,6-8H2,1H3.
What are the key properties of 1,1,1-trifluoro-N-[4-[(3-methyl-7-oxo-4,5-dihydro-[1,2]oxazolo[5,4-c]pyridin-6-yl)methyl]phenyl]methanesulfonamide?
1,1,1-trifluoro-N-[4-[(3-methyl-7-oxo-4,5-dihydro-[1,2]oxazolo[5,4-c]pyridin-6-yl)methyl]phenyl]methanesulfonamide has a molecular weight of 389.36 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[4-[(3-methyl-7-oxo-4,5-dihydro-[1,2]oxazolo[5,4-c]pyridin-6-yl)methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 169261205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).