N-ethyl-3-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C22H23F3N4O3 — CID 78831721

IUPACN-ethyl-3-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc(C(C)C)nc2onc(C)c12
InChIInChI=1S/C22H23F3N4O3/c1-5-29(11-18(30)26-16-9-7-6-8-15(16)22(23,24)25)21(31)14-10-17(12(2)3)27-20-19(14)13(4)28-32-20/h6-10,12H,5,11H2,1-4H3,(H,26,30)
InChIKeyKBCYTNMLUOZGNR-UHFFFAOYSA-N
MW448.45 g/mol
LogP4.77
Rot. Bonds6

About N-ethyl-3-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-ethyl-3-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 78831721) has the molecular formula C22H23F3N4O3 and a molecular weight of 448.45 g/mol. Its IUPAC name is N-ethyl-3-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID78831721
Molecular FormulaC22H23F3N4O3
Molecular Weight448.45 g/mol
Exact Mass448.17
IUPAC NameN-ethyl-3-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc(C(C)C)nc2onc(C)c12
InChIInChI=1S/C22H23F3N4O3/c1-5-29(11-18(30)26-16-9-7-6-8-15(16)22(23,24)25)21(31)14-10-17(12(2)3)27-20-19(14)13(4)28-32-20/h6-10,12H,5,11H2,1-4H3,(H,26,30)
InChIKeyKBCYTNMLUOZGNR-UHFFFAOYSA-N
XLogP4.77
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.45
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78831683
N-ethyl-3,5-dimethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,2-oxazole-4-carboxamide
CID 26356736
N,3-dimethyl-6-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 75406936
N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-(trifluoromethyl)benzamide
CID 26356947
N-ethyl-N-(2-hydroxyethyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78855535
N-butyl-N-ethyl-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78836039
N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 112808169
2-[2-[(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]phenyl]acetic acid
CID 119353215
N-ethyl-2,5-difluoro-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 43018397
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78831644
N-ethyl-2,4,5-trimethoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 26357174
6-(2-fluorophenyl)-3-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 43066610

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-ethyl-3-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 78831721) is N-ethyl-3-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-ethyl-3-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-ethyl-3-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc(C(C)C)nc2onc(C)c12.
What is the InChIKey of N-ethyl-3-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is KBCYTNMLUOZGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O3/c1-5-29(11-18(30)26-16-9-7-6-8-15(16)22(23,24)25)21(31)14-10-17(12(2)3)27-20-19(14)13(4)28-32-20/h6-10,12H,5,11H2,1-4H3,(H,26,30).
What are the key properties of N-ethyl-3-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-ethyl-3-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 448.45 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 78831721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).